4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran

C37H24O — CID 167069128

IUPAC4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran
SMILESC1=CC=Cc2oc3c(-c4ccc(C5(c6ccccc6)C6=C(CC=C6)c6ccccc65)cc4)cccc3c2C=1
InChIInChI=1S/C37H24O/c1-3-11-26(12-4-1)37(33-18-8-7-13-29(33)30-16-10-19-34(30)37)27-23-21-25(22-24-27)28-15-9-17-32-31-14-5-2-6-20-35(31)38-36(28)32/h1-4,6-15,17-24H,16H2
InChIKeyPMFURIOYSOBHQB-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.36
Rot. Bonds3

About 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran

4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran (PubChem CID 167069128) has the molecular formula C37H24O and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran
PubChem CID167069128
Molecular FormulaC37H24O
Molecular Weight484.60 g/mol
Exact Mass484.18
IUPAC Name4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran
SMILESC1=CC=Cc2oc3c(-c4ccc(C5(c6ccccc6)C6=C(CC=C6)c6ccccc65)cc4)cccc3c2C=1
InChIInChI=1S/C37H24O/c1-3-11-26(12-4-1)37(33-18-8-7-13-29(33)30-16-10-19-34(30)37)27-23-21-25(22-24-27)28-15-9-17-32-31-14-5-2-6-20-35(31)38-36(28)32/h1-4,6-15,17-24H,16H2
InChIKeyPMFURIOYSOBHQB-UHFFFAOYSA-N
XLogP9.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 159547141
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
6-(4-bromophenyl)-2H-dibenzofuran-2-ylium
CID 123878551
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 164724674
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran?
The IUPAC name of 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran (CID 167069128) is 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran.
What is the SMILES notation for 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran?
The canonical SMILES for 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran is C1=CC=Cc2oc3c(-c4ccc(C5(c6ccccc6)C6=C(CC=C6)c6ccccc65)cc4)cccc3c2C=1.
What is the InChIKey of 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran?
The InChIKey is PMFURIOYSOBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O/c1-3-11-26(12-4-1)37(33-18-8-7-13-29(33)30-16-10-19-34(30)37)27-23-21-25(22-24-27)28-15-9-17-32-31-14-5-2-6-20-35(31)38-36(28)32/h1-4,6-15,17-24H,16H2.
What are the key properties of 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran?
4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran has a molecular weight of 484.60 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran is sourced from PubChem (CID 167069128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).