1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline

C171H126Br2N6 — CID 157140152

IUPAC1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline
SMILESBrc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1ccccc1.Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2N(c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(Nc5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)ccc32)cc1
InChIInChI=1S/C61H44N2.C49H36N2.C25H21N.C24H16BrN.C12H9Br/c1-6-21-45(22-7-1)55-33-16-18-35-58(55)62(53-40-38-51(39-41-53)61(48-24-8-2-9-25-48,49-26-10-3-11-27-49)50-28-12-4-13-29-50)54-32-20-23-46(43-54)47-37-42-60-57(44-47)56-34-17-19-36-59(56)63(60)52-30-14-5-15-31-52;1-5-17-38(18-6-1)49(39-19-7-2-8-20-39,40-21-9-3-10-22-40)41-29-31-42(32-30-41)50-43-23-15-16-36(34-43)37-28-33-48-46(35-37)45-26-13-14-27-47(45)51(48)44-24-11-4-12-25-44;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;25-19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-44H;1-35,50H;1-19H,26H2;1-16H;1-9H
InChIKeyAKCFJUSUOUSJQM-UHFFFAOYSA-N
MW2424.74 g/mol
LogP45.53
Rot. Bonds25

About 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline

1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline (PubChem CID 157140152) has the molecular formula C171H126Br2N6 and a molecular weight of 2424.74 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline
PubChem CID157140152
Molecular FormulaC171H126Br2N6
Molecular Weight2424.74 g/mol
Exact Mass2420.84
IUPAC Name1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline
SMILESBrc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1ccccc1.Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2N(c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(Nc5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)ccc32)cc1
InChIInChI=1S/C61H44N2.C49H36N2.C25H21N.C24H16BrN.C12H9Br/c1-6-21-45(22-7-1)55-33-16-18-35-58(55)62(53-40-38-51(39-41-53)61(48-24-8-2-9-25-48,49-26-10-3-11-27-49)50-28-12-4-13-29-50)54-32-20-23-46(43-54)47-37-42-60-57(44-47)56-34-17-19-36-59(56)63(60)52-30-14-5-15-31-52;1-5-17-38(18-6-1)49(39-19-7-2-8-20-39,40-21-9-3-10-22-40)41-29-31-42(32-30-41)50-43-23-15-16-36(34-43)37-28-33-48-46(35-37)45-26-13-14-27-47(45)51(48)44-24-11-4-12-25-44;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;25-19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-44H;1-35,50H;1-19H,26H2;1-16H;1-9H
InChIKeyAKCFJUSUOUSJQM-UHFFFAOYSA-N
XLogP45.53
TPSA56.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002424.74
LogP ≤ 545.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline with MolForge

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Related Compounds

2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline
CID 158688260
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
9-(3-bromophenyl)carbazole;4-tert-butylaniline;N-(4-tert-butylphenyl)-3-carbazol-9-ylaniline
CID 158316400
2-(3-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-3-(9,10-diphenylanthracen-2-yl)-N-phenylaniline
CID 159078632
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-1-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine;3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline
CID 161242415
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 158034274
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline?
The IUPAC name of 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline (CID 157140152) is 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline.
What is the SMILES notation for 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline?
The canonical SMILES for 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline is Brc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1ccccc1.Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2N(c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(Nc5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)ccc32)cc1.
What is the InChIKey of 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline?
The InChIKey is AKCFJUSUOUSJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2.C49H36N2.C25H21N.C24H16BrN.C12H9Br/c1-6-21-45(22-7-1)55-33-16-18-35-58(55)62(53-40-38-51(39-41-53)61(48-24-8-2-9-25-48,49-26-10-3-11-27-49)50-28-12-4-13-29-50)54-32-20-23-46(43-54)47-37-42-60-57(44-47)56-34-17-19-36-59(56)63(60)52-30-14-5-15-31-52;1-5-17-38(18-6-1)49(39-19-7-2-8-20-39,40-21-9-3-10-22-40)41-29-31-42(32-30-41)50-43-23-15-16-36(34-43)37-28-33-48-46(35-37)45-26-13-14-27-47(45)51(48)44-24-11-4-12-25-44;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;25-19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-44H;1-35,50H;1-19H,26H2;1-16H;1-9H.
What are the key properties of 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline?
1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline has a molecular weight of 2424.74 g/mol, XLogP of 45.53, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline is sourced from PubChem (CID 157140152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).