2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol

C35H23BrO — CID 164732104

IUPAC2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
SMILESOC1(c2cccc3cccc(-c4ccc(-c5ccccc5)cc4)c23)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C35H23BrO/c36-27-20-21-30-29-12-4-5-14-31(29)35(37,33(30)22-27)32-15-7-11-26-10-6-13-28(34(26)32)25-18-16-24(17-19-25)23-8-2-1-3-9-23/h1-22,37H
InChIKeyJWHKXNDNSSBSBO-UHFFFAOYSA-N
MW539.47 g/mol
LogP9.20
Rot. Bonds3

About 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol

2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol (PubChem CID 164732104) has the molecular formula C35H23BrO and a molecular weight of 539.47 g/mol. Its IUPAC name is 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
PubChem CID164732104
Molecular FormulaC35H23BrO
Molecular Weight539.47 g/mol
Exact Mass538.09
IUPAC Name2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
SMILESOC1(c2cccc3cccc(-c4ccc(-c5ccccc5)cc4)c23)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C35H23BrO/c36-27-20-21-30-29-12-4-5-14-31(29)35(37,33(30)22-27)32-15-7-11-26-10-6-13-28(34(26)32)25-18-16-24(17-19-25)23-8-2-1-3-9-23/h1-22,37H
InChIKeyJWHKXNDNSSBSBO-UHFFFAOYSA-N
XLogP9.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.47
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
9-bromo-7-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[a]phenalen-7-ol
CID 164970165
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
CID 164732050
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
11-bromo-14-(2-phenanthren-9-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 130463599
3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
CID 142567776
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
9-(2-bromophenyl)-2,7-diphenylfluoren-9-ol
CID 118049424
9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
CID 134529564
9-bromo-7,7-dimethylbenzo[a]phenalene
CID 118532943
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
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol?
The IUPAC name of 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol (CID 164732104) is 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol.
What is the SMILES notation for 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol?
The canonical SMILES for 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol is OC1(c2cccc3cccc(-c4ccc(-c5ccccc5)cc4)c23)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol?
The InChIKey is JWHKXNDNSSBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BrO/c36-27-20-21-30-29-12-4-5-14-31(29)35(37,33(30)22-27)32-15-7-11-26-10-6-13-28(34(26)32)25-18-16-24(17-19-25)23-8-2-1-3-9-23/h1-22,37H.
What are the key properties of 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol?
2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol has a molecular weight of 539.47 g/mol, XLogP of 9.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol is sourced from PubChem (CID 164732104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).