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

C135H93Br3O3 — CID 158286741

IUPAC(3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
SMILESOC(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)(c1cccc(Br)c1)c1ccccc1-c1ccccc1.OC(c1ccc(Br)cc1)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccccc1-c1ccccc1.OC(c1cccc(Br)c1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/3C45H31BrO/c46-36-22-14-21-35(30-36)45(47,42-28-12-11-23-37(42)31-15-3-1-4-16-31)34-20-13-19-33(29-34)44-40-26-9-7-24-38(40)43(32-17-5-2-6-18-32)39-25-8-10-27-41(39)44;46-36-19-13-18-35(30-36)45(47,42-25-12-11-20-37(42)31-14-3-1-4-15-31)34-28-26-33(27-29-34)44-40-23-9-7-21-38(40)43(32-16-5-2-6-17-32)39-22-8-10-24-41(39)44;46-36-29-27-35(28-30-36)45(47,42-22-12-11-17-37(42)31-13-3-1-4-14-31)34-25-23-33(24-26-34)44-40-20-9-7-18-38(40)43(32-15-5-2-6-16-32)39-19-8-10-21-41(39)44/h3*1-30,47H
InChIKeyGKWGBGBTVZABGV-UHFFFAOYSA-N
MW2002.94 g/mol
LogP36.12
Rot. Bonds18

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

(3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol (PubChem CID 158286741) has the molecular formula C135H93Br3O3 and a molecular weight of 2002.94 g/mol. Its IUPAC name is (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
PubChem CID158286741
Molecular FormulaC135H93Br3O3
Molecular Weight2002.94 g/mol
Exact Mass1998.47
IUPAC Name(3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
SMILESOC(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)(c1cccc(Br)c1)c1ccccc1-c1ccccc1.OC(c1ccc(Br)cc1)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccccc1-c1ccccc1.OC(c1cccc(Br)c1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/3C45H31BrO/c46-36-22-14-21-35(30-36)45(47,42-28-12-11-23-37(42)31-15-3-1-4-16-31)34-20-13-19-33(29-34)44-40-26-9-7-24-38(40)43(32-17-5-2-6-18-32)39-25-8-10-27-41(39)44;46-36-19-13-18-35(30-36)45(47,42-25-12-11-20-37(42)31-14-3-1-4-15-31)34-28-26-33(27-29-34)44-40-23-9-7-21-38(40)43(32-16-5-2-6-17-32)39-22-8-10-24-41(39)44;46-36-29-27-35(28-30-36)45(47,42-22-12-11-17-37(42)31-13-3-1-4-14-31)34-25-23-33(24-26-34)44-40-20-9-7-18-38(40)43(32-15-5-2-6-16-32)39-19-8-10-21-41(39)44/h3*1-30,47H
InChIKeyGKWGBGBTVZABGV-UHFFFAOYSA-N
XLogP36.12
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002002.94
LogP ≤ 536.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,4aS,8aS)-1-[(E,3R)-5-(10-bromoanthracen-9-yl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735718
2-(3-Bicyclo[3.2.2]nonanyl)-1-(6-bromophenanthren-9-yl)ethanol
CID 90669669
(2S)-5-[(4-bromophenyl)methoxy]-1,1,1-trifluoro-5-methyl-2-naphthalen-2-ylhex-3-yn-2-ol
CID 139037908
[17-Bromo-26-(hydroxymethyl)-7-heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,7,10,13,15,17,19,21(30),22,24(29),25,27-pentadecaenyl]methanol
CID 134864958
(1S,4R)-1,4-bis(4-bromonaphthalen-1-yl)-1,4-dimethoxynaphthalene
CID 89989807
2-Bromo-9,10-bis(4-fluorophenyl)-9,10-dihydro-9,10-anthracenediol
CID 59211150
2-Bromo-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene-9,10-diol
CID 124096089
[5-Bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol
CID 138723714
(5-Bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol
CID 140964005
[5-Bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol
CID 140964013
[2-(4-Bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol
CID 140964016
3,6-Dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
CID 178176785

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
The IUPAC name of (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol (CID 158286741) is (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol.
What is the SMILES notation for (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
The canonical SMILES for (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol is OC(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)(c1cccc(Br)c1)c1ccccc1-c1ccccc1.OC(c1ccc(Br)cc1)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccccc1-c1ccccc1.OC(c1cccc(Br)c1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
The InChIKey is GKWGBGBTVZABGV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H31BrO/c46-36-22-14-21-35(30-36)45(47,42-28-12-11-23-37(42)31-15-3-1-4-16-31)34-20-13-19-33(29-34)44-40-26-9-7-24-38(40)43(32-17-5-2-6-18-32)39-25-8-10-27-41(39)44;46-36-19-13-18-35(30-36)45(47,42-25-12-11-20-37(42)31-14-3-1-4-15-31)34-28-26-33(27-29-34)44-40-23-9-7-21-38(40)43(32-16-5-2-6-17-32)39-22-8-10-24-41(39)44;46-36-29-27-35(28-30-36)45(47,42-22-12-11-17-37(42)31-13-3-1-4-14-31)34-25-23-33(24-26-34)44-40-20-9-7-18-38(40)43(32-15-5-2-6-16-32)39-19-8-10-21-41(39)44/h3*1-30,47H.
What are the key properties of (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol?
(3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol has a molecular weight of 2002.94 g/mol, XLogP of 36.12, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(3-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol;(4-bromophenyl)-[4-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol is sourced from PubChem (CID 158286741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).