3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol

C35H23BrO — CID 164732050

IUPAC3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
SMILESOC1(c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc(Br)c3cccc1c23
InChIInChI=1S/C35H23BrO/c36-33-22-21-28-27-12-5-7-15-31(27)35(37,32-16-8-13-29(33)34(28)32)30-14-6-4-11-26(30)25-19-17-24(18-20-25)23-9-2-1-3-10-23/h1-22,37H
InChIKeyURGRMJMYVSKQGZ-UHFFFAOYSA-N
MW539.47 g/mol
LogP9.20
Rot. Bonds3

About 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol

3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol (PubChem CID 164732050) has the molecular formula C35H23BrO and a molecular weight of 539.47 g/mol. Its IUPAC name is 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol.

Molecular Properties

Compound Name3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
PubChem CID164732050
Molecular FormulaC35H23BrO
Molecular Weight539.47 g/mol
Exact Mass538.09
IUPAC Name3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
SMILESOC1(c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc(Br)c3cccc1c23
InChIInChI=1S/C35H23BrO/c36-33-22-21-28-27-12-5-7-15-31(27)35(37,32-16-8-13-29(33)34(28)32)30-14-6-4-11-26(30)25-19-17-24(18-20-25)23-9-2-1-3-10-23/h1-22,37H
InChIKeyURGRMJMYVSKQGZ-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

2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
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
17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
CID 89216058
9-(2-bromophenyl)-4-phenylfluoren-9-ol
CID 118049400
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
1-bromo-2-phenylbenzene;ethane;hydron;14-(2-phenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol;spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene];tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-one
CID 161247327
3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
CID 155342209
9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol
CID 118049359
3,10-dibromo-6-(2,5-diphenylphenyl)-1-phenylperylene
CID 164940170
4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline
CID 118565229

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol?
The IUPAC name of 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol (CID 164732050) is 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol.
What is the SMILES notation for 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol?
The canonical SMILES for 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol is OC1(c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc(Br)c3cccc1c23.
What is the InChIKey of 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol?
The InChIKey is URGRMJMYVSKQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BrO/c36-33-22-21-28-27-12-5-7-15-31(27)35(37,32-16-8-13-29(33)34(28)32)30-14-6-4-11-26(30)25-19-17-24(18-20-25)23-9-2-1-3-10-23/h1-22,37H.
What are the key properties of 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol?
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-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 3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol is sourced from PubChem (CID 164732050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).