8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene

C38H28O2 — CID 15333406

IUPAC8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)C=C3
InChIInChI=1S/C38H28O2/c1-39-34-21-22-35-31(26-34)16-23-37-36(35)24-25-38(40-37,32-17-12-29(13-18-32)27-8-4-2-5-9-27)33-19-14-30(15-20-33)28-10-6-3-7-11-28/h2-26H,1H3
InChIKeySQAMJYSFFNVVIP-UHFFFAOYSA-N
MW516.64 g/mol
LogP9.53
Rot. Bonds5

About 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene

8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene (PubChem CID 15333406) has the molecular formula C38H28O2 and a molecular weight of 516.64 g/mol. Its IUPAC name is 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene.

Molecular Properties

Compound Name8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
PubChem CID15333406
Molecular FormulaC38H28O2
Molecular Weight516.64 g/mol
Exact Mass516.21
IUPAC Name8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)C=C3
InChIInChI=1S/C38H28O2/c1-39-34-21-22-35-31(26-34)16-23-37-36(35)24-25-38(40-37,32-17-12-29(13-18-32)27-8-4-2-5-9-27)33-19-14-30(15-20-33)28-10-6-3-7-11-28/h2-26H,1H3
InChIKeySQAMJYSFFNVVIP-UHFFFAOYSA-N
XLogP9.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone
CID 3448509
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
3'-(4-methoxyphenyl)-8-nitro-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084502
2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate
CID 102311410

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene?
The IUPAC name of 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene (CID 15333406) is 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene.
What is the SMILES notation for 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene?
The canonical SMILES for 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene is COc1ccc2c3c(ccc2c1)OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)C=C3.
What is the InChIKey of 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene?
The InChIKey is SQAMJYSFFNVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O2/c1-39-34-21-22-35-31(26-34)16-23-37-36(35)24-25-38(40-37,32-17-12-29(13-18-32)27-8-4-2-5-9-27)33-19-14-30(15-20-33)28-10-6-3-7-11-28/h2-26H,1H3.
What are the key properties of 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene?
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene has a molecular weight of 516.64 g/mol, XLogP of 9.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene is sourced from PubChem (CID 15333406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).