2,2,5-triphenylbenzo[h]chromene

C31H22O — CID 13007765

IUPAC2,2,5-triphenylbenzo[h]chromene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2c1c(-c1ccccc1)cc1ccccc21
InChIInChI=1S/C31H22O/c1-4-12-23(13-5-1)29-22-24-14-10-11-19-27(24)30-28(29)20-21-31(32-30,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H
InChIKeyJATUUTJYAOBGER-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.86
Rot. Bonds3

About 2,2,5-triphenylbenzo[h]chromene

2,2,5-triphenylbenzo[h]chromene (PubChem CID 13007765) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2,2,5-triphenylbenzo[h]chromene.

Molecular Properties

Compound Name2,2,5-triphenylbenzo[h]chromene
PubChem CID13007765
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name2,2,5-triphenylbenzo[h]chromene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2c1c(-c1ccccc1)cc1ccccc21
InChIInChI=1S/C31H22O/c1-4-12-23(13-5-1)29-22-24-14-10-11-19-27(24)30-28(29)20-21-31(32-30,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H
InChIKeyJATUUTJYAOBGER-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
(2,2-diphenylbenzo[h]chromen-6-yl)methanol
CID 132567770
(3,3-diphenylbenzo[f]chromen-5-yl) trifluoromethanesulfonate
CID 10983702
[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol
CID 69314165
18,21,21-trimethyl-5-phenyl-5-(4-phenylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 170015510
21,21,22,22-tetramethyl-4,4-diphenyl-3-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),5,8,10,12,15,17,19-nonaene
CID 59480312
tert-butyl N-(3,3-diphenylbenzo[f]chromen-5-yl)carbamate
CID 132609095
5-phenyl-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,1'-cycloheptane]
CID 177083169
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
4,6-diphenyl-2-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,1'-cyclohexane]-5-yl)phenyl]pyrimidine
CID 169291025
ethyl 2,2,5-triphenylbenzo[h]chromene-6-carboxylate
CID 18316931
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

Frequently Asked Questions

What is the IUPAC name of 2,2,5-triphenylbenzo[h]chromene?
The IUPAC name of 2,2,5-triphenylbenzo[h]chromene (CID 13007765) is 2,2,5-triphenylbenzo[h]chromene.
What is the SMILES notation for 2,2,5-triphenylbenzo[h]chromene?
The canonical SMILES for 2,2,5-triphenylbenzo[h]chromene is C1=CC(c2ccccc2)(c2ccccc2)Oc2c1c(-c1ccccc1)cc1ccccc21.
What is the InChIKey of 2,2,5-triphenylbenzo[h]chromene?
The InChIKey is JATUUTJYAOBGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-4-12-23(13-5-1)29-22-24-14-10-11-19-27(24)30-28(29)20-21-31(32-30,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H.
What are the key properties of 2,2,5-triphenylbenzo[h]chromene?
2,2,5-triphenylbenzo[h]chromene has a molecular weight of 410.52 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triphenylbenzo[h]chromene is sourced from PubChem (CID 13007765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).