1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene

C68H44 — CID 123612784

IUPAC1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
SMILESc1ccc(C2=C3C(=C(c4ccccc4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3ccc4ccccc4c3-c3ccccc3)=C2c2ccc3cccc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C68H44/c1-7-22-45(23-8-1)54-37-21-35-49-38-39-53(42-57(49)54)65-64(52-33-17-6-18-34-52)67-61-44-59(47-26-11-3-12-27-47)58(46-24-9-2-10-25-46)43-60(61)63(51-31-15-5-16-32-51)68(67)66(65)56-41-40-48-28-19-20-36-55(48)62(56)50-29-13-4-14-30-50/h1-44H
InChIKeyXPNQONABCPOLQI-UHFFFAOYSA-N
MW861.10 g/mol
LogP18.01
Rot. Bonds8

About 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene

1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene (PubChem CID 123612784) has the molecular formula C68H44 and a molecular weight of 861.10 g/mol. Its IUPAC name is 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene.

Molecular Properties

Compound Name1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
PubChem CID123612784
Molecular FormulaC68H44
Molecular Weight861.10 g/mol
Exact Mass860.34
IUPAC Name1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
SMILESc1ccc(C2=C3C(=C(c4ccccc4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3ccc4ccccc4c3-c3ccccc3)=C2c2ccc3cccc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C68H44/c1-7-22-45(23-8-1)54-37-21-35-49-38-39-53(42-57(49)54)65-64(52-33-17-6-18-34-52)67-61-44-59(47-26-11-3-12-27-47)58(46-24-9-2-10-25-46)43-60(61)63(51-31-15-5-16-32-51)68(67)66(65)56-41-40-48-28-19-20-36-55(48)62(56)50-29-13-4-14-30-50/h1-44H
InChIKeyXPNQONABCPOLQI-UHFFFAOYSA-N
XLogP18.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.10
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
1,2,3,4,6,7-hexakis-phenylcyclopenta[a]indene;1-naphthalen-1-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene;1-naphthalen-2-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 157435557
2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene
CID 162049653
2-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
12-naphthalen-2-yl-24-phenylhexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123338519
5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene
CID 123575605
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
1,2-diphenylnaphthalene
CID 11208267

Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene?
The IUPAC name of 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene (CID 123612784) is 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene.
What is the SMILES notation for 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene?
The canonical SMILES for 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene is c1ccc(C2=C3C(=C(c4ccccc4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3ccc4ccccc4c3-c3ccccc3)=C2c2ccc3cccc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene?
The InChIKey is XPNQONABCPOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44/c1-7-22-45(23-8-1)54-37-21-35-49-38-39-53(42-57(49)54)65-64(52-33-17-6-18-34-52)67-61-44-59(47-26-11-3-12-27-47)58(46-24-9-2-10-25-46)43-60(61)63(51-31-15-5-16-32-51)68(67)66(65)56-41-40-48-28-19-20-36-55(48)62(56)50-29-13-4-14-30-50/h1-44H.
What are the key properties of 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene?
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene has a molecular weight of 861.10 g/mol, XLogP of 18.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene is sourced from PubChem (CID 123612784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).