17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]

C332H196 — CID 159699555

IUPAC17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
SMILESc1cc(-c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c5c(ccc4c3)-c3c(ccc4ccccc34)C53c4ccccc4-c4ccccc43)c3ccccc23)cc1.c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)c(-c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)ccc3c21
InChIInChI=1S/2C57H34.3C55H32.C53H32/c1-3-17-39-35(14-1)16-13-25-44(39)54-47-23-7-5-21-45(47)53(46-22-6-8-24-48(46)54)38-29-31-41-37(34-38)28-32-49-55-40-18-4-2-15-36(40)30-33-52(55)57(56(41)49)50-26-11-9-19-42(50)43-20-10-12-27-51(43)57;1-2-15-37-33-39(26-25-35(37)13-1)53-45-19-5-7-21-47(45)54(48-22-8-6-20-46(48)53)40-28-30-42-38(34-40)27-31-49-55-41-16-4-3-14-36(41)29-32-52(55)57(56(42)49)50-23-11-9-17-43(50)44-18-10-12-24-51(44)57;1-2-14-42-33(9-1)25-30-50-53(42)47-29-24-40-32-38(23-27-43(40)54(47)55(50)48-17-5-3-15-44(48)45-16-4-6-18-49(45)55)37-12-8-13-39(31-37)41-26-21-36-20-19-34-10-7-11-35-22-28-46(41)52(36)51(34)35;1-2-11-42-34(8-1)26-31-50-53(42)47-30-25-40-32-39(24-28-43(40)54(47)55(50)48-14-5-3-12-44(48)45-13-4-6-15-49(45)55)33-16-18-35(19-17-33)41-27-22-38-21-20-36-9-7-10-37-23-29-46(41)52(38)51(36)37;1-2-14-40-33(10-1)26-31-50-53(40)47-30-25-38-32-37(24-27-41(38)54(47)55(50)48-18-7-5-16-44(48)45-17-6-8-19-49(45)55)39-13-3-4-15-42(39)43-28-22-36-21-20-34-11-9-12-35-23-29-46(43)52(36)51(34)35;1-2-15-34(16-3-1)49-41-20-6-8-22-43(41)50(44-23-9-7-21-42(44)49)36-27-29-38-35(32-36)26-30-45-51-37-17-5-4-14-33(37)28-31-48(51)53(52(38)45)46-24-12-10-18-39(46)40-19-11-13-25-47(40)53/h2*1-34H;3*1-32H;1-32H
InChIKeyMXLGPFDLLQBWSZ-UHFFFAOYSA-N
MW4185.22 g/mol
LogP87.94
Rot. Bonds12

About 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]

17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] (PubChem CID 159699555) has the molecular formula C332H196 and a molecular weight of 4185.22 g/mol. Its IUPAC name is 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene].

Molecular Properties

Compound Name17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
PubChem CID159699555
Molecular FormulaC332H196
Molecular Weight4185.22 g/mol
Exact Mass4181.53
IUPAC Name17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
SMILESc1cc(-c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c5c(ccc4c3)-c3c(ccc4ccccc34)C53c4ccccc4-c4ccccc43)c3ccccc23)cc1.c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)c(-c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)ccc3c21
InChIInChI=1S/2C57H34.3C55H32.C53H32/c1-3-17-39-35(14-1)16-13-25-44(39)54-47-23-7-5-21-45(47)53(46-22-6-8-24-48(46)54)38-29-31-41-37(34-38)28-32-49-55-40-18-4-2-15-36(40)30-33-52(55)57(56(41)49)50-26-11-9-19-42(50)43-20-10-12-27-51(43)57;1-2-15-37-33-39(26-25-35(37)13-1)53-45-19-5-7-21-47(45)54(48-22-8-6-20-46(48)53)40-28-30-42-38(34-40)27-31-49-55-41-16-4-3-14-36(41)29-32-52(55)57(56(42)49)50-23-11-9-17-43(50)44-18-10-12-24-51(44)57;1-2-14-42-33(9-1)25-30-50-53(42)47-29-24-40-32-38(23-27-43(40)54(47)55(50)48-17-5-3-15-44(48)45-16-4-6-18-49(45)55)37-12-8-13-39(31-37)41-26-21-36-20-19-34-10-7-11-35-22-28-46(41)52(36)51(34)35;1-2-11-42-34(8-1)26-31-50-53(42)47-30-25-40-32-39(24-28-43(40)54(47)55(50)48-14-5-3-12-44(48)45-13-4-6-15-49(45)55)33-16-18-35(19-17-33)41-27-22-38-21-20-36-9-7-10-37-23-29-46(41)52(38)51(36)37;1-2-14-40-33(10-1)26-31-50-53(40)47-30-25-38-32-37(24-27-41(38)54(47)55(50)48-18-7-5-16-44(48)45-17-6-8-19-49(45)55)39-13-3-4-15-42(39)43-28-22-36-21-20-34-11-9-12-35-23-29-46(43)52(36)51(34)35;1-2-15-34(16-3-1)49-41-20-6-8-22-43(41)50(44-23-9-7-21-42(44)49)36-27-29-38-35(32-36)26-30-45-51-37-17-5-4-14-33(37)28-31-48(51)53(52(38)45)46-24-12-10-18-39(46)40-19-11-13-25-47(40)53/h2*1-34H;3*1-32H;1-32H
InChIKeyMXLGPFDLLQBWSZ-UHFFFAOYSA-N
XLogP87.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms332
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004185.22
LogP ≤ 587.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?
The IUPAC name of 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] (CID 159699555) is 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene].
What is the SMILES notation for 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?
The canonical SMILES for 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] is c1cc(-c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c5c(ccc4c3)-c3c(ccc4ccccc34)C53c4ccccc4-c4ccccc43)c3ccccc23)cc1.c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)c(-c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)ccc3c21.
What is the InChIKey of 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?
The InChIKey is MXLGPFDLLQBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H34.3C55H32.C53H32/c1-3-17-39-35(14-1)16-13-25-44(39)54-47-23-7-5-21-45(47)53(46-22-6-8-24-48(46)54)38-29-31-41-37(34-38)28-32-49-55-40-18-4-2-15-36(40)30-33-52(55)57(56(41)49)50-26-11-9-19-42(50)43-20-10-12-27-51(43)57;1-2-15-37-33-39(26-25-35(37)13-1)53-45-19-5-7-21-47(45)54(48-22-8-6-20-46(48)53)40-28-30-42-38(34-40)27-31-49-55-41-16-4-3-14-36(41)29-32-52(55)57(56(42)49)50-23-11-9-17-43(50)44-18-10-12-24-51(44)57;1-2-14-42-33(9-1)25-30-50-53(42)47-29-24-40-32-38(23-27-43(40)54(47)55(50)48-17-5-3-15-44(48)45-16-4-6-18-49(45)55)37-12-8-13-39(31-37)41-26-21-36-20-19-34-10-7-11-35-22-28-46(41)52(36)51(34)35;1-2-11-42-34(8-1)26-31-50-53(42)47-30-25-40-32-39(24-28-43(40)54(47)55(50)48-14-5-3-12-44(48)45-13-4-6-15-49(45)55)33-16-18-35(19-17-33)41-27-22-38-21-20-36-9-7-10-37-23-29-46(41)52(38)51(36)37;1-2-14-40-33(10-1)26-31-50-53(40)47-30-25-38-32-37(24-27-41(38)54(47)55(50)48-18-7-5-16-44(48)45-17-6-8-19-49(45)55)39-13-3-4-15-42(39)43-28-22-36-21-20-34-11-9-12-35-23-29-46(43)52(36)51(34)35;1-2-15-34(16-3-1)49-41-20-6-8-22-43(41)50(44-23-9-7-21-42(44)49)36-27-29-38-35(32-36)26-30-45-51-37-17-5-4-14-33(37)28-31-48(51)53(52(38)45)46-24-12-10-18-39(46)40-19-11-13-25-47(40)53/h2*1-34H;3*1-32H;1-32H.
What are the key properties of 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?
17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] has a molecular weight of 4185.22 g/mol, XLogP of 87.94, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] is sourced from PubChem (CID 159699555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).