(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol

C45H31BrO — CID 87107182

IUPAC(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
SMILESOC(c1ccc(Br)cc1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C45H31BrO/c46-36-28-26-34(27-29-36)45(47,42-25-12-11-20-37(42)31-14-3-1-4-15-31)35-19-13-18-33(30-35)44-40-23-9-7-21-38(40)43(32-16-5-2-6-17-32)39-22-8-10-24-41(39)44/h1-30,47H
InChIKeyPYVNWZRWPCFHED-UHFFFAOYSA-N
MW667.65 g/mol
LogP12.04
Rot. Bonds6

About (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol

(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol (PubChem CID 87107182) has the molecular formula C45H31BrO and a molecular weight of 667.65 g/mol. Its IUPAC name is (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
PubChem CID87107182
Molecular FormulaC45H31BrO
Molecular Weight667.65 g/mol
Exact Mass666.16
IUPAC Name(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
SMILESOC(c1ccc(Br)cc1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C45H31BrO/c46-36-28-26-34(27-29-36)45(47,42-25-12-11-20-37(42)31-14-3-1-4-15-31)35-19-13-18-33(30-35)44-40-23-9-7-21-38(40)43(32-16-5-2-6-17-32)39-22-8-10-24-41(39)44/h1-30,47H
InChIKeyPYVNWZRWPCFHED-UHFFFAOYSA-N
XLogP12.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.65
LogP ≤ 512.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol
CID 138723827
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
[2-(3-methoxyphenyl)phenyl]-diphenylmethanol
CID 11710362
[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol
CID 58371116
2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol
CID 140906727
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
[2-[2-(hydroxymethyl)phenyl]phenyl]-diphenylmethanol
CID 102081145
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
2-bromo-9,10-diphenylanthracene
CID 22247163
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
The IUPAC name of (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol (CID 87107182) is (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
The canonical SMILES for (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol is OC(c1ccc(Br)cc1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
The InChIKey is PYVNWZRWPCFHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31BrO/c46-36-28-26-34(27-29-36)45(47,42-25-12-11-20-37(42)31-14-3-1-4-15-31)35-19-13-18-33(30-35)44-40-23-9-7-21-38(40)43(32-16-5-2-6-17-32)39-22-8-10-24-41(39)44/h1-30,47H.
What are the key properties of (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol has a molecular weight of 667.65 g/mol, XLogP of 12.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol is sourced from PubChem (CID 87107182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).