12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene

C33H22O — CID 154964818

IUPAC12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
SMILESc1ccc(-c2ccc3c(c2)Oc2ccc4ccccc4c2C3c2cccc3ccccc23)cc1
InChIInChI=1S/C33H22O/c1-2-9-22(10-3-1)25-17-19-29-31(21-25)34-30-20-18-24-12-5-7-15-27(24)33(30)32(29)28-16-8-13-23-11-4-6-14-26(23)28/h1-21,32H
InChIKeySOBPJOQTRRJUCZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.95
Rot. Bonds2

About 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene

12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene (PubChem CID 154964818) has the molecular formula C33H22O and a molecular weight of 434.54 g/mol. Its IUPAC name is 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene.

Molecular Properties

Compound Name12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
PubChem CID154964818
Molecular FormulaC33H22O
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
SMILESc1ccc(-c2ccc3c(c2)Oc2ccc4ccccc4c2C3c2cccc3ccccc23)cc1
InChIInChI=1S/C33H22O/c1-2-9-22(10-3-1)25-17-19-29-31(21-25)34-30-20-18-24-12-5-7-15-27(24)33(30)32(29)28-16-8-13-23-11-4-6-14-26(23)28/h1-21,32H
InChIKeySOBPJOQTRRJUCZ-UHFFFAOYSA-N
XLogP8.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
methane;3-(13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 158501337
12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
CID 45258152
12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene
CID 146578726
2-(4-dibenzofuran-3-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578788
(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
CID 689158
2-(4-dibenzothiophen-3-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578789
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
3-phenyl-9H-xanthen-9-ol
CID 15685341
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578778
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
CID 45258388

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene?
The IUPAC name of 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene (CID 154964818) is 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene.
What is the SMILES notation for 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene?
The canonical SMILES for 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene is c1ccc(-c2ccc3c(c2)Oc2ccc4ccccc4c2C3c2cccc3ccccc23)cc1.
What is the InChIKey of 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene?
The InChIKey is SOBPJOQTRRJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O/c1-2-9-22(10-3-1)25-17-19-29-31(21-25)34-30-20-18-24-12-5-7-15-27(24)33(30)32(29)28-16-8-13-23-11-4-6-14-26(23)28/h1-21,32H.
What are the key properties of 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene?
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene has a molecular weight of 434.54 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene is sourced from PubChem (CID 154964818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).