11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene

C38H24 — CID 158704755

IUPAC11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc5c6c7c(cccc7c7cccc8c7c6c4C8)C5)c3)cc2)cc1
InChIInChI=1S/C38H24/c1-2-7-23(8-3-1)24-15-17-25(18-16-24)26-9-4-10-27(19-26)33-22-30-20-28-11-5-13-31-32-14-6-12-29-21-34(33)38(36(29)32)37(30)35(28)31/h1-19,22H,20-21H2
InChIKeyQGTYPWXWBXWTDD-UHFFFAOYSA-N
MW480.61 g/mol
LogP9.96
Rot. Bonds3

About 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene

11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene (PubChem CID 158704755) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
PubChem CID158704755
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc5c6c7c(cccc7c7cccc8c7c6c4C8)C5)c3)cc2)cc1
InChIInChI=1S/C38H24/c1-2-7-23(8-3-1)24-15-17-25(18-16-24)26-9-4-10-27(19-26)33-22-30-20-28-11-5-13-31-32-14-6-12-29-21-34(33)38(36(29)32)37(30)35(28)31/h1-19,22H,20-21H2
InChIKeyQGTYPWXWBXWTDD-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123937708
4,9-bis(3-phenylphenyl)-1,2,3,6,7,8-hexahydropyrene
CID 59500798
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
CID 157122578
18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
CID 153357627

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?
The IUPAC name of 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene (CID 158704755) is 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene.
What is the SMILES notation for 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?
The canonical SMILES for 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene is c1ccc(-c2ccc(-c3cccc(-c4cc5c6c7c(cccc7c7cccc8c7c6c4C8)C5)c3)cc2)cc1.
What is the InChIKey of 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?
The InChIKey is QGTYPWXWBXWTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-2-7-23(8-3-1)24-15-17-25(18-16-24)26-9-4-10-27(19-26)33-22-30-20-28-11-5-13-31-32-14-6-12-29-21-34(33)38(36(29)32)37(30)35(28)31/h1-19,22H,20-21H2.
What are the key properties of 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene?
11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene has a molecular weight of 480.61 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4-phenylphenyl)phenyl]hexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene is sourced from PubChem (CID 158704755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).