8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene

C30H22O2 — CID 139692008

IUPAC8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc2ccccc2c1)C=C3
InChIInChI=1S/C30H22O2/c1-31-26-14-15-27-23(20-26)12-16-29-28(27)17-18-30(32-29,24-9-3-2-4-10-24)25-13-11-21-7-5-6-8-22(21)19-25/h2-20H,1H3
InChIKeyCYXVXSAFHYHRAI-UHFFFAOYSA-N
MW414.50 g/mol
LogP7.35
Rot. Bonds3

About 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene

8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene (PubChem CID 139692008) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene.

Molecular Properties

Compound Name8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
PubChem CID139692008
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc2ccccc2c1)C=C3
InChIInChI=1S/C30H22O2/c1-31-26-14-15-27-23(20-26)12-16-29-28(27)17-18-30(32-29,24-9-3-2-4-10-24)25-13-11-21-7-5-6-8-22(21)19-25/h2-20H,1H3
InChIKeyCYXVXSAFHYHRAI-UHFFFAOYSA-N
XLogP7.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 57.35
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-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
CID 139694625
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
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]chromen-8-yl]-phenylmethanone
CID 3448509
21,21-diethyl-10-methoxy-5-naphthalen-2-yl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene
CID 169307146
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-naphthalen-2-yl-3-phenylbenzo[f]chromene?
The IUPAC name of 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene (CID 139692008) is 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene.
What is the SMILES notation for 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene?
The canonical SMILES for 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene is COc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc2ccccc2c1)C=C3.
What is the InChIKey of 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene?
The InChIKey is CYXVXSAFHYHRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c1-31-26-14-15-27-23(20-26)12-16-29-28(27)17-18-30(32-29,24-9-3-2-4-10-24)25-13-11-21-7-5-6-8-22(21)19-25/h2-20H,1H3.
What are the key properties of 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene?
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene has a molecular weight of 414.50 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene is sourced from PubChem (CID 139692008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).