9-(2-naphthalen-1-ylphenyl)xanthen-9-ol

C29H20O2 — CID 118521018

IUPAC9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
SMILESOC1(c2ccccc2-c2cccc3ccccc23)c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H20O2/c30-29(25-16-5-7-18-27(25)31-28-19-8-6-17-26(28)29)24-15-4-3-13-23(24)22-14-9-11-20-10-1-2-12-21(20)22/h1-19,30H
InChIKeyHHYNEFHAUYQQOO-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.90
Rot. Bonds2

About 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol

9-(2-naphthalen-1-ylphenyl)xanthen-9-ol (PubChem CID 118521018) has the molecular formula C29H20O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol.

Molecular Properties

Compound Name9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
PubChem CID118521018
Molecular FormulaC29H20O2
Molecular Weight400.48 g/mol
Exact Mass400.15
IUPAC Name9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
SMILESOC1(c2ccccc2-c2cccc3ccccc23)c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H20O2/c30-29(25-16-5-7-18-27(25)31-28-19-8-6-17-26(28)29)24-15-4-3-13-23(24)22-14-9-11-20-10-1-2-12-21(20)22/h1-19,30H
InChIKeyHHYNEFHAUYQQOO-UHFFFAOYSA-N
XLogP6.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-bromo-14-(2-naphthalen-1-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463591
9-anthracen-9-ylfluoren-9-ol
CID 72942304
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
1-[8-(9,9-dimethylxanthen-1-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333366
1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]
CID 168799005
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 90365606
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636

Frequently Asked Questions

What is the IUPAC name of 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol?
The IUPAC name of 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol (CID 118521018) is 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol.
What is the SMILES notation for 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol?
The canonical SMILES for 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol is OC1(c2ccccc2-c2cccc3ccccc23)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol?
The InChIKey is HHYNEFHAUYQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O2/c30-29(25-16-5-7-18-27(25)31-28-19-8-6-17-26(28)29)24-15-4-3-13-23(24)22-14-9-11-20-10-1-2-12-21(20)22/h1-19,30H.
What are the key properties of 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol?
9-(2-naphthalen-1-ylphenyl)xanthen-9-ol has a molecular weight of 400.48 g/mol, XLogP of 6.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-naphthalen-1-ylphenyl)xanthen-9-ol is sourced from PubChem (CID 118521018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).