1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene

C116H80BBr4ClN6O2 — CID 161272827

IUPAC1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene
SMILESBrc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Brc1cc(Br)cc(Br)c1.Clc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.OB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)cc1
InChIInChI=1S/C52H34N4.C22H15ClN2.C18H15BO2.C18H13Br.C6H3Br3/c1-4-14-35(15-5-1)39-30-40(36-16-6-2-7-17-36)32-41(31-39)47-28-29-53-52(54-47)56-49-23-13-11-21-44(49)46-34-38(25-27-51(46)56)37-24-26-50-45(33-37)43-20-10-12-22-48(43)55(50)42-18-8-3-9-19-42;23-22-24-12-11-21(25-22)20-14-18(16-7-3-1-4-8-16)13-19(15-20)17-9-5-2-6-10-17;20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15;19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15;7-4-1-5(8)3-6(9)2-4/h1-34H;1-15H;1-13,20-21H;1-13H;1-3H
InChIKeyVEAXZNWHHFUSFE-UHFFFAOYSA-N
MW1955.84 g/mol
LogP31.93
Rot. Bonds14

About 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene

1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene (PubChem CID 161272827) has the molecular formula C116H80BBr4ClN6O2 and a molecular weight of 1955.84 g/mol. Its IUPAC name is 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene.

Molecular Properties

Compound Name1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene
PubChem CID161272827
Molecular FormulaC116H80BBr4ClN6O2
Molecular Weight1955.84 g/mol
Exact Mass1950.29
IUPAC Name1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene
SMILESBrc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Brc1cc(Br)cc(Br)c1.Clc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.OB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)cc1
InChIInChI=1S/C52H34N4.C22H15ClN2.C18H15BO2.C18H13Br.C6H3Br3/c1-4-14-35(15-5-1)39-30-40(36-16-6-2-7-17-36)32-41(31-39)47-28-29-53-52(54-47)56-49-23-13-11-21-44(49)46-34-38(25-27-51(46)56)37-24-26-50-45(33-37)43-20-10-12-22-48(43)55(50)42-18-8-3-9-19-42;23-22-24-12-11-21(25-22)20-14-18(16-7-3-1-4-8-16)13-19(15-20)17-9-5-2-6-10-17;20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15;19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15;7-4-1-5(8)3-6(9)2-4/h1-34H;1-15H;1-13,20-21H;1-13H;1-3H
InChIKeyVEAXZNWHHFUSFE-UHFFFAOYSA-N
XLogP31.93
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001955.84
LogP ≤ 531.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene with MolForge

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole
CID 159531032
3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
CID 90086381
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637729
3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane
CID 157487848
11,11-dimethyl-5-phenyl-2-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]indeno[1,2-b]carbazole
CID 90050448
3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 161329286
9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid
CID 162001771

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene?
The IUPAC name of 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene (CID 161272827) is 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene.
What is the SMILES notation for 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene?
The canonical SMILES for 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene is Brc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Brc1cc(Br)cc(Br)c1.Clc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.OB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)cc1.
What is the InChIKey of 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene?
The InChIKey is VEAXZNWHHFUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C22H15ClN2.C18H15BO2.C18H13Br.C6H3Br3/c1-4-14-35(15-5-1)39-30-40(36-16-6-2-7-17-36)32-41(31-39)47-28-29-53-52(54-47)56-49-23-13-11-21-44(49)46-34-38(25-27-51(46)56)37-24-26-50-45(33-37)43-20-10-12-22-48(43)55(50)42-18-8-3-9-19-42;23-22-24-12-11-21(25-22)20-14-18(16-7-3-1-4-8-16)13-19(15-20)17-9-5-2-6-10-17;20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15;19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15;7-4-1-5(8)3-6(9)2-4/h1-34H;1-15H;1-13,20-21H;1-13H;1-3H.
What are the key properties of 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene?
1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene has a molecular weight of 1955.84 g/mol, XLogP of 31.93, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene is sourced from PubChem (CID 161272827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).