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

C66H42 — CID 123391662

IUPAC2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccc4ccc(-c5ccccc5)cc4c3)=C3C2=C(c2ccc4cc5ccccc5cc4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C66H42/c1-6-18-43(19-7-1)51-32-30-44-31-34-54(40-55(44)38-51)64-62(47-24-12-4-13-25-47)63(48-26-14-5-15-27-48)66-61(53-35-33-52-36-49-28-16-17-29-50(49)37-56(52)39-53)59-41-57(45-20-8-2-9-21-45)58(42-60(59)65(64)66)46-22-10-3-11-23-46/h1-42H
InChIKeyHOXNRJNIKMCEAG-UHFFFAOYSA-N
MW835.06 g/mol
LogP17.50
Rot. Bonds7

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

2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene (PubChem CID 123391662) has the molecular formula C66H42 and a molecular weight of 835.06 g/mol. Its IUPAC name is 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene.

Molecular Properties

Compound Name2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
PubChem CID123391662
Molecular FormulaC66H42
Molecular Weight835.06 g/mol
Exact Mass834.33
IUPAC Name2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccc4ccc(-c5ccccc5)cc4c3)=C3C2=C(c2ccc4cc5ccccc5cc4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C66H42/c1-6-18-43(19-7-1)51-32-30-44-31-34-54(40-55(44)38-51)64-62(47-24-12-4-13-25-47)63(48-26-14-5-15-27-48)66-61(53-35-33-52-36-49-28-16-17-29-50(49)37-56(52)39-53)59-41-57(45-20-8-2-9-21-45)58(42-60(59)65(64)66)46-22-10-3-11-23-46/h1-42H
InChIKeyHOXNRJNIKMCEAG-UHFFFAOYSA-N
XLogP17.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
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
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
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
2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2,7-diphenylanthracene
CID 154020316
2-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161079097
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene?
The IUPAC name of 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene (CID 123391662) is 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene.
What is the SMILES notation for 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene?
The canonical SMILES for 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene is c1ccc(C2=C(c3ccccc3)C(c3ccc4ccc(-c5ccccc5)cc4c3)=C3C2=C(c2ccc4cc5ccccc5cc4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene?
The InChIKey is HOXNRJNIKMCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42/c1-6-18-43(19-7-1)51-32-30-44-31-34-54(40-55(44)38-51)64-62(47-24-12-4-13-25-47)63(48-26-14-5-15-27-48)66-61(53-35-33-52-36-49-28-16-17-29-50(49)37-56(52)39-53)59-41-57(45-20-8-2-9-21-45)58(42-60(59)65(64)66)46-22-10-3-11-23-46/h1-42H.
What are the key properties of 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene?
2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene has a molecular weight of 835.06 g/mol, XLogP of 17.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene is sourced from PubChem (CID 123391662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).