2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene

C58H38 — CID 123933383

IUPAC2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccc4c(-c5ccccc5)cccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C58H38/c1-7-20-39(21-8-1)47-33-19-32-45-36-46(34-35-48(45)47)56-54(43-28-15-5-16-29-43)55(44-30-17-6-18-31-44)58-53(42-26-13-4-14-27-42)51-37-49(40-22-9-2-10-23-40)50(38-52(51)57(56)58)41-24-11-3-12-25-41/h1-38H
InChIKeyCNECNFPYHZPIEG-UHFFFAOYSA-N
MW734.94 g/mol
LogP15.19
Rot. Bonds7

About 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene

2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene (PubChem CID 123933383) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene.

Molecular Properties

Compound Name2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
PubChem CID123933383
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccc4c(-c5ccccc5)cccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C58H38/c1-7-20-39(21-8-1)47-33-19-32-45-36-46(34-35-48(45)47)56-54(43-28-15-5-16-29-43)55(44-30-17-6-18-31-44)58-53(42-26-13-4-14-27-42)51-37-49(40-22-9-2-10-23-40)50(38-52(51)57(56)58)41-24-11-3-12-25-41/h1-38H
InChIKeyCNECNFPYHZPIEG-UHFFFAOYSA-N
XLogP15.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
CID 123391662
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
18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
CID 123148312
2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
CID 118075155
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene?
The IUPAC name of 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene (CID 123933383) is 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene.
What is the SMILES notation for 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene?
The canonical SMILES for 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene is c1ccc(C2=C(c3ccccc3)C(c3ccc4c(-c5ccccc5)cccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene?
The InChIKey is CNECNFPYHZPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-7-20-39(21-8-1)47-33-19-32-45-36-46(34-35-48(45)47)56-54(43-28-15-5-16-29-43)55(44-30-17-6-18-31-44)58-53(42-26-13-4-14-27-42)51-37-49(40-22-9-2-10-23-40)50(38-52(51)57(56)58)41-24-11-3-12-25-41/h1-38H.
What are the key properties of 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene?
2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene has a molecular weight of 734.94 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene is sourced from PubChem (CID 123933383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).