6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

C292H190N10O11 — CID 159858107

IUPAC6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5oc6ccc7cc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7c6c54)c3)cc21.Cc1ccccc1N(c1ccc2c(ccc3oc4ccc5cc(N(c6ccccc6C)c6cccc7c6oc6ccccc67)ccc5c4c32)c1)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)ccc6c5c43)c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)ccc6c5c43)c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C62H46N2O.C60H38N2O.C58H38N2O3.2C56H34N2O3/c1-61(2)53-21-13-11-19-49(53)51-31-27-45(37-55(51)61)63(41-15-7-5-8-16-41)43-25-29-47-39(35-43)23-33-57-59(47)60-48-30-26-44(36-40(48)24-34-58(60)65-57)64(42-17-9-6-10-18-42)46-28-32-52-50-20-12-14-22-54(50)62(3,4)56(52)38-46;1-3-17-43(18-4-1)61(55-37-39-15-7-9-21-47(39)51-23-11-13-25-53(51)55)45-29-31-49-41(35-45)27-33-57-59(49)60-50-32-30-46(36-42(50)28-34-58(60)63-57)62(44-19-5-2-6-20-44)56-38-40-16-8-10-22-48(40)52-24-12-14-26-54(52)56;1-35-13-3-7-19-47(35)59(49-21-11-17-45-43-15-5-9-23-51(43)62-57(45)49)39-27-29-41-37(33-39)25-31-53-55(41)56-42-30-28-40(34-38(42)26-32-54(56)61-53)60(48-20-8-4-14-36(48)2)50-22-12-18-46-44-16-6-10-24-52(44)63-58(46)50;1-3-13-37(14-4-1)57(47-21-11-19-45-43-17-7-9-23-49(43)60-55(45)47)39-27-29-41-35(33-39)25-31-51-53(41)54-42-30-28-40(34-36(42)26-32-52(54)59-51)58(38-15-5-2-6-16-38)48-22-12-20-46-44-18-8-10-24-50(44)61-56(46)48;1-3-11-37(12-4-1)57(41-23-29-51-47(33-41)45-15-7-9-17-49(45)59-51)39-21-25-43-35(31-39)19-27-53-55(43)56-44-26-22-40(32-36(44)20-28-54(56)61-53)58(38-13-5-2-6-14-38)42-24-30-52-48(34-42)46-16-8-10-18-50(46)60-52/h5-38H,1-4H3;1-38H;3-34H,1-2H3;2*1-34H
InChIKeyNQUCWDFFRCIBQS-UHFFFAOYSA-N
MW4014.79 g/mol
LogP85.40
Rot. Bonds30

About 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (PubChem CID 159858107) has the molecular formula C292H190N10O11 and a molecular weight of 4014.79 g/mol. Its IUPAC name is 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
PubChem CID159858107
Molecular FormulaC292H190N10O11
Molecular Weight4014.79 g/mol
Exact Mass4011.46
IUPAC Name6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5oc6ccc7cc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7c6c54)c3)cc21.Cc1ccccc1N(c1ccc2c(ccc3oc4ccc5cc(N(c6ccccc6C)c6cccc7c6oc6ccccc67)ccc5c4c32)c1)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)ccc6c5c43)c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)ccc6c5c43)c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C62H46N2O.C60H38N2O.C58H38N2O3.2C56H34N2O3/c1-61(2)53-21-13-11-19-49(53)51-31-27-45(37-55(51)61)63(41-15-7-5-8-16-41)43-25-29-47-39(35-43)23-33-57-59(47)60-48-30-26-44(36-40(48)24-34-58(60)65-57)64(42-17-9-6-10-18-42)46-28-32-52-50-20-12-14-22-54(50)62(3,4)56(52)38-46;1-3-17-43(18-4-1)61(55-37-39-15-7-9-21-47(39)51-23-11-13-25-53(51)55)45-29-31-49-41(35-45)27-33-57-59(49)60-50-32-30-46(36-42(50)28-34-58(60)63-57)62(44-19-5-2-6-20-44)56-38-40-16-8-10-22-48(40)52-24-12-14-26-54(52)56;1-35-13-3-7-19-47(35)59(49-21-11-17-45-43-15-5-9-23-51(43)62-57(45)49)39-27-29-41-37(33-39)25-31-53-55(41)56-42-30-28-40(34-38(42)26-32-54(56)61-53)60(48-20-8-4-14-36(48)2)50-22-12-18-46-44-16-6-10-24-52(44)63-58(46)50;1-3-13-37(14-4-1)57(47-21-11-19-45-43-17-7-9-23-49(43)60-55(45)47)39-27-29-41-35(33-39)25-31-51-53(41)54-42-30-28-40(34-36(42)26-32-52(54)59-51)58(38-15-5-2-6-16-38)48-22-12-20-46-44-18-8-10-24-50(44)61-56(46)48;1-3-11-37(12-4-1)57(41-23-29-51-47(33-41)45-15-7-9-17-49(45)59-51)39-21-25-43-35(31-39)19-27-53-55(43)56-44-26-22-40(32-36(44)20-28-54(56)61-53)58(38-13-5-2-6-14-38)42-24-30-52-48(34-42)46-16-8-10-18-50(46)60-52/h5-38H,1-4H3;1-38H;3-34H,1-2H3;2*1-34H
InChIKeyNQUCWDFFRCIBQS-UHFFFAOYSA-N
XLogP85.40
TPSA176.94 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms313
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004014.79
LogP ≤ 585.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (CID 159858107) is 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5oc6ccc7cc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7c6c54)c3)cc21.Cc1ccccc1N(c1ccc2c(ccc3oc4ccc5cc(N(c6ccccc6C)c6cccc7c6oc6ccccc67)ccc5c4c32)c1)c1cccc2c1oc1ccccc12.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)ccc6c5c43)c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)ccc6c5c43)c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The InChIKey is NQUCWDFFRCIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2O.C60H38N2O.C58H38N2O3.2C56H34N2O3/c1-61(2)53-21-13-11-19-49(53)51-31-27-45(37-55(51)61)63(41-15-7-5-8-16-41)43-25-29-47-39(35-43)23-33-57-59(47)60-48-30-26-44(36-40(48)24-34-58(60)65-57)64(42-17-9-6-10-18-42)46-28-32-52-50-20-12-14-22-54(50)62(3,4)56(52)38-46;1-3-17-43(18-4-1)61(55-37-39-15-7-9-21-47(39)51-23-11-13-25-53(51)55)45-29-31-49-41(35-45)27-33-57-59(49)60-50-32-30-46(36-42(50)28-34-58(60)63-57)62(44-19-5-2-6-20-44)56-38-40-16-8-10-22-48(40)52-24-12-14-26-54(52)56;1-35-13-3-7-19-47(35)59(49-21-11-17-45-43-15-5-9-23-51(43)62-57(45)49)39-27-29-41-37(33-39)25-31-53-55(41)56-42-30-28-40(34-38(42)26-32-54(56)61-53)60(48-20-8-4-14-36(48)2)50-22-12-18-46-44-16-6-10-24-52(44)63-58(46)50;1-3-13-37(14-4-1)57(47-21-11-19-45-43-17-7-9-23-49(43)60-55(45)47)39-27-29-41-35(33-39)25-31-51-53(41)54-42-30-28-40(34-36(42)26-32-52(54)59-51)58(38-15-5-2-6-16-38)48-22-12-20-46-44-18-8-10-24-50(44)61-56(46)48;1-3-11-37(12-4-1)57(41-23-29-51-47(33-41)45-15-7-9-17-49(45)59-51)39-21-25-43-35(31-39)19-27-53-55(43)56-44-26-22-40(32-36(44)20-28-54(56)61-53)58(38-13-5-2-6-14-38)42-24-30-52-48(34-42)46-16-8-10-18-50(46)60-52/h5-38H,1-4H3;1-38H;3-34H,1-2H3;2*1-34H.
What are the key properties of 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine has a molecular weight of 4014.79 g/mol, XLogP of 85.40, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is sourced from PubChem (CID 159858107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).