4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene

C29H22O — CID 132602666

IUPAC4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene
SMILESCOc1ccc(C23Cc4ccccc4C2=C(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C29H22O/c1-30-23-17-15-22(16-18-23)29-19-21-11-5-6-12-24(21)28(29)27(20-9-3-2-4-10-20)25-13-7-8-14-26(25)29/h2-18H,19H2,1H3
InChIKeyGUERDXFYUHHMBM-UHFFFAOYSA-N
MW386.49 g/mol
LogP6.51
Rot. Bonds3

About 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene

4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene (PubChem CID 132602666) has the molecular formula C29H22O and a molecular weight of 386.49 g/mol. Its IUPAC name is 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene.

Molecular Properties

Compound Name4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene
PubChem CID132602666
Molecular FormulaC29H22O
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene
SMILESCOc1ccc(C23Cc4ccccc4C2=C(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C29H22O/c1-30-23-17-15-22(16-18-23)29-19-21-11-5-6-12-24(21)28(29)27(20-9-3-2-4-10-20)25-13-7-8-14-26(25)29/h2-18H,19H2,1H3
InChIKeyGUERDXFYUHHMBM-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-bromo-3-(4-methoxyphenyl)-1H-indene
CID 157190744
10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
CID 154436056
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
3-(4-methoxyphenyl)-3-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]-2H-inden-1-one
CID 161104122
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254

Frequently Asked Questions

What is the IUPAC name of 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene?
The IUPAC name of 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene (CID 132602666) is 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene.
What is the SMILES notation for 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene?
The canonical SMILES for 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene is COc1ccc(C23Cc4ccccc4C2=C(c2ccccc2)c2ccccc23)cc1.
What is the InChIKey of 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene?
The InChIKey is GUERDXFYUHHMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O/c1-30-23-17-15-22(16-18-23)29-19-21-11-5-6-12-24(21)28(29)27(20-9-3-2-4-10-20)25-13-7-8-14-26(25)29/h2-18H,19H2,1H3.
What are the key properties of 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene?
4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene has a molecular weight of 386.49 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene is sourced from PubChem (CID 132602666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).