9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

C281H188 — CID 160535625

IUPAC9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESCC1(C)c2cc(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccc4cc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)ccc4c3)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4cc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)ccc4c3)cc21.CC1(C)c2cc(-c3cccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C61H40.2C57H38.2C53H36/c1-61(2)57-35-42(27-29-52(57)53-30-28-45(36-58(53)61)55-33-43-12-4-5-13-47(43)49-15-7-8-16-50(49)55)40-22-23-41-32-44(25-24-39(41)31-40)56-34-46-26-21-38-20-19-37-11-3-6-14-48(37)59(38)60(46)54-18-10-9-17-51(54)56;1-57(2)53-33-40(39-23-19-35-11-3-4-13-38(35)31-39)25-27-49(53)50-28-26-41(34-54(50)57)43-29-30-48(46-16-8-7-15-45(43)46)52-32-42-24-22-37-21-20-36-12-5-6-14-44(36)55(37)56(42)51-18-10-9-17-47(51)52;1-57(2)53-33-43(40-19-15-35-9-3-4-11-38(35)29-40)25-27-49(53)50-28-26-44(34-54(50)57)41-20-21-42-31-45(23-22-39(42)30-41)52-32-46-24-18-37-17-16-36-10-5-6-12-47(36)55(37)56(46)51-14-8-7-13-48(51)52;1-53(2)49-31-39(24-26-45(49)46-27-25-40(32-50(46)53)38-22-18-33-10-3-4-12-36(33)28-38)37-13-9-14-41(29-37)48-30-42-23-21-35-20-19-34-11-5-6-15-43(34)51(35)52(42)47-17-8-7-16-44(47)48;1-53(2)49-31-40(25-27-45(49)46-28-26-41(32-50(46)53)39-23-17-33-9-3-4-11-38(33)29-39)34-15-18-36(19-16-34)48-30-42-24-22-37-21-20-35-10-5-6-12-43(35)51(37)52(42)47-14-8-7-13-44(47)48/h3-36H,1-2H3;2*3-34H,1-2H3;2*3-32H,1-2H3
InChIKeyQWCQFTLQLDRLRP-UHFFFAOYSA-N
MW3564.59 g/mol
LogP78.41
Rot. Bonds15

About 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (PubChem CID 160535625) has the molecular formula C281H188 and a molecular weight of 3564.59 g/mol. Its IUPAC name is 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
PubChem CID160535625
Molecular FormulaC281H188
Molecular Weight3564.59 g/mol
Exact Mass3561.47
IUPAC Name9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESCC1(C)c2cc(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccc4cc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)ccc4c3)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4cc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)ccc4c3)cc21.CC1(C)c2cc(-c3cccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C61H40.2C57H38.2C53H36/c1-61(2)57-35-42(27-29-52(57)53-30-28-45(36-58(53)61)55-33-43-12-4-5-13-47(43)49-15-7-8-16-50(49)55)40-22-23-41-32-44(25-24-39(41)31-40)56-34-46-26-21-38-20-19-37-11-3-6-14-48(37)59(38)60(46)54-18-10-9-17-51(54)56;1-57(2)53-33-40(39-23-19-35-11-3-4-13-38(35)31-39)25-27-49(53)50-28-26-41(34-54(50)57)43-29-30-48(46-16-8-7-15-45(43)46)52-32-42-24-22-37-21-20-36-12-5-6-14-44(36)55(37)56(42)51-18-10-9-17-47(51)52;1-57(2)53-33-43(40-19-15-35-9-3-4-11-38(35)29-40)25-27-49(53)50-28-26-44(34-54(50)57)41-20-21-42-31-45(23-22-39(42)30-41)52-32-46-24-18-37-17-16-36-10-5-6-12-47(36)55(37)56(46)51-14-8-7-13-48(51)52;1-53(2)49-31-39(24-26-45(49)46-27-25-40(32-50(46)53)38-22-18-33-10-3-4-12-36(33)28-38)37-13-9-14-41(29-37)48-30-42-23-21-35-20-19-34-11-5-6-15-43(34)51(35)52(42)47-17-8-7-16-44(47)48;1-53(2)49-31-40(25-27-45(49)46-28-26-41(32-50(46)53)39-23-17-33-9-3-4-11-38(33)29-39)34-15-18-36(19-16-34)48-30-42-24-22-37-21-20-35-10-5-6-12-43(35)51(37)52(42)47-14-8-7-13-44(47)48/h3-36H,1-2H3;2*3-34H,1-2H3;2*3-32H,1-2H3
InChIKeyQWCQFTLQLDRLRP-UHFFFAOYSA-N
XLogP78.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms281
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003564.59
LogP ≤ 578.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The IUPAC name of 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (CID 160535625) is 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.
What is the SMILES notation for 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The canonical SMILES for 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is CC1(C)c2cc(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccc4cc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)ccc4c3)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4cc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)ccc4c3)cc21.CC1(C)c2cc(-c3cccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The InChIKey is QWCQFTLQLDRLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40.2C57H38.2C53H36/c1-61(2)57-35-42(27-29-52(57)53-30-28-45(36-58(53)61)55-33-43-12-4-5-13-47(43)49-15-7-8-16-50(49)55)40-22-23-41-32-44(25-24-39(41)31-40)56-34-46-26-21-38-20-19-37-11-3-6-14-48(37)59(38)60(46)54-18-10-9-17-51(54)56;1-57(2)53-33-40(39-23-19-35-11-3-4-13-38(35)31-39)25-27-49(53)50-28-26-41(34-54(50)57)43-29-30-48(46-16-8-7-15-45(43)46)52-32-42-24-22-37-21-20-36-12-5-6-14-44(36)55(37)56(42)51-18-10-9-17-47(51)52;1-57(2)53-33-43(40-19-15-35-9-3-4-11-38(35)29-40)25-27-49(53)50-28-26-44(34-54(50)57)41-20-21-42-31-45(23-22-39(42)30-41)52-32-46-24-18-37-17-16-36-10-5-6-12-47(36)55(37)56(46)51-14-8-7-13-48(51)52;1-53(2)49-31-39(24-26-45(49)46-27-25-40(32-50(46)53)38-22-18-33-10-3-4-12-36(33)28-38)37-13-9-14-41(29-37)48-30-42-23-21-35-20-19-34-11-5-6-15-43(34)51(35)52(42)47-17-8-7-16-44(47)48;1-53(2)49-31-40(25-27-45(49)46-28-26-41(32-50(46)53)39-23-17-33-9-3-4-11-38(33)29-39)34-15-18-36(19-16-34)48-30-42-24-22-37-21-20-35-10-5-6-12-43(35)51(37)52(42)47-14-8-7-13-44(47)48/h3-36H,1-2H3;2*3-34H,1-2H3;2*3-32H,1-2H3.
What are the key properties of 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene has a molecular weight of 3564.59 g/mol, XLogP of 78.41, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 160535625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).