1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene

C58H38 — CID 123582484

IUPAC1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3-c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C58H38/c1-6-21-40(22-7-1)49-37-51-52(38-50(49)41-23-8-2-9-24-41)57-56(48-33-19-18-32-47(48)46-35-34-39-20-16-17-31-45(39)36-46)54(43-27-12-4-13-28-43)55(44-29-14-5-15-30-44)58(57)53(51)42-25-10-3-11-26-42/h1-38H
InChIKeyWOMZKDHSPFFNFP-UHFFFAOYSA-N
MW734.94 g/mol
LogP15.19
Rot. Bonds7

About 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene

1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene (PubChem CID 123582484) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
PubChem CID123582484
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3-c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C58H38/c1-6-21-40(22-7-1)49-37-51-52(38-50(49)41-23-8-2-9-24-41)57-56(48-33-19-18-32-47(48)46-35-34-39-20-16-17-31-45(39)36-46)54(43-27-12-4-13-28-43)55(44-29-14-5-15-30-44)58(57)53(51)42-25-10-3-11-26-42/h1-38H
InChIKeyWOMZKDHSPFFNFP-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-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
CID 123391662
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
1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
CID 59793090
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
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
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
3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 159827500
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
2-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene?
The IUPAC name of 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene (CID 123582484) is 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene.
What is the SMILES notation for 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene?
The canonical SMILES for 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene is c1ccc(C2=C(c3ccccc3)C(c3ccccc3-c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene?
The InChIKey is WOMZKDHSPFFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-6-21-40(22-7-1)49-37-51-52(38-50(49)41-23-8-2-9-24-41)57-56(48-33-19-18-32-47(48)46-35-34-39-20-16-17-31-45(39)36-46)54(43-27-12-4-13-28-43)55(44-29-14-5-15-30-44)58(57)53(51)42-25-10-3-11-26-42/h1-38H.
What are the key properties of 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene?
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[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 1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene is sourced from PubChem (CID 123582484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).