18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C60H40 — CID 158525252

IUPAC18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C4c5ccccc5-c5c6c(c7ccccc7c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)c2)cc1
InChIInChI=1S/C60H40/c1-5-19-40(20-6-1)44-37-45(41-21-7-2-8-22-41)39-46(38-44)42-33-35-43(36-34-42)55-49-27-13-14-28-50(49)57-56(55)51-29-15-16-30-52(51)59-58(57)53-31-17-18-32-54(53)60(59,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-39,55H
InChIKeyKTGVAVZLKAHTNT-UHFFFAOYSA-N
MW760.98 g/mol
LogP15.36
Rot. Bonds6

About 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 158525252) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID158525252
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C4c5ccccc5-c5c6c(c7ccccc7c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)c2)cc1
InChIInChI=1S/C60H40/c1-5-19-40(20-6-1)44-37-45(41-21-7-2-8-22-41)39-46(38-44)42-33-35-43(36-34-42)55-49-27-13-14-28-50(49)57-56(55)51-29-15-16-30-52(51)59-58(57)53-31-17-18-32-54(53)60(59,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-39,55H
InChIKeyKTGVAVZLKAHTNT-UHFFFAOYSA-N
XLogP15.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159713563
12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene
CID 159865494
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
2-phenyl-4-[4-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 134487414
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
4,6-diphenyl-2-[4-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]pyrimidine
CID 134487417
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
6-(7-naphthalen-2-ylpyren-2-yl)-11,11-diphenylbenzo[a]fluorene
CID 158356048

Frequently Asked Questions

What is the IUPAC name of 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 158525252) is 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C4c5ccccc5-c5c6c(c7ccccc7c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)c2)cc1.
What is the InChIKey of 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is KTGVAVZLKAHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-5-19-40(20-6-1)44-37-45(41-21-7-2-8-22-41)39-46(38-44)42-33-35-43(36-34-42)55-49-27-13-14-28-50(49)57-56(55)51-29-15-16-30-52(51)59-58(57)53-31-17-18-32-54(53)60(59,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-39,55H.
What are the key properties of 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 760.98 g/mol, XLogP of 15.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 158525252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).