5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline

C87H59BrN10 — CID 159006273

IUPAC5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline
SMILESBrc1cccc(-n2c3ccccc3c3cnccc32)c1.Nc1cccc(-n2c3ccccc3c3ccccc32)c1.c1cc(N(c2cccc(-n3c4ccccc4c4cnccc43)c2)c2cccc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N6.C18H14N2.C17H11BrN2/c1-5-22-47-41(18-1)42-19-2-6-23-48(42)56(47)38-15-9-12-35(30-38)55(36-13-10-16-39(31-36)57-49-24-7-3-20-43(49)45-33-53-28-26-51(45)57)37-14-11-17-40(32-37)58-50-25-8-4-21-44(50)46-34-54-29-27-52(46)58;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;18-12-4-3-5-13(10-12)20-16-7-2-1-6-14(16)15-11-19-9-8-17(15)20/h1-34H;1-12H,19H2;1-11H
InChIKeyJRYNZXGGPBALEE-UHFFFAOYSA-N
MW1324.40 g/mol
LogP22.54
Rot. Bonds8

About 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline

5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline (PubChem CID 159006273) has the molecular formula C87H59BrN10 and a molecular weight of 1324.40 g/mol. Its IUPAC name is 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline.

Molecular Properties

Compound Name5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline
PubChem CID159006273
Molecular FormulaC87H59BrN10
Molecular Weight1324.40 g/mol
Exact Mass1322.41
IUPAC Name5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline
SMILESBrc1cccc(-n2c3ccccc3c3cnccc32)c1.Nc1cccc(-n2c3ccccc3c3ccccc32)c1.c1cc(N(c2cccc(-n3c4ccccc4c4cnccc43)c2)c2cccc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N6.C18H14N2.C17H11BrN2/c1-5-22-47-41(18-1)42-19-2-6-23-48(42)56(47)38-15-9-12-35(30-38)55(36-13-10-16-39(31-36)57-49-24-7-3-20-43(49)45-33-53-28-26-51(45)57)37-14-11-17-40(32-37)58-50-25-8-4-21-44(50)46-34-54-29-27-52(46)58;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;18-12-4-3-5-13(10-12)20-16-7-2-1-6-14(16)15-11-19-9-8-17(15)20/h1-34H;1-12H,19H2;1-11H
InChIKeyJRYNZXGGPBALEE-UHFFFAOYSA-N
XLogP22.54
TPSA92.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001324.40
LogP ≤ 522.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline 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

5-(4-Bromophenyl)-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin
CID 135407394
5,15-Bis(4-bromophenyl)-10,20-bis(4-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
CID 137645246
7-carbazol-9-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;tetrakis(iridium);7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;6-methyl-5-phenyl-8-(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine
CID 157902800
9-[2-(2-Carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenylphenyl)carbazole;9-[4-[4-carbazol-9-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]carbazole;5-(9-phenyl-6-pyrido[4,3-b]indol-5-ylcarbazol-3-yl)pyrido[4,3-b]indole;5-(9-phenyl-7-pyrido[4,3-b]indol-5-ylcarbazol-2-yl)pyrido[4,3-b]indole
CID 160335023
5-[2,4-Di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
CID 164791649
2-Pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole
CID 101437631
iridium(3+);tris(9-phenyl-3-pyridin-2-yl-2H-carbazol-2-ide)
CID 139253786
Iridium(3+);tris(9-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole)
CID 139253794
1-methyl-3-[1-[3-[2-methyl-4-[(E)-2-[2-methyl-1-[4-[3-(1-methylindol-3-yl)indol-1-yl]butyl]pyridin-1-ium-4-yl]ethenyl]pyridin-1-ium-1-yl]propyl]indol-3-yl]indole
CID 18721029
N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline
CID 20625481
1-benzyl-4-[1-(1-benzylindol-4-yl)-4,4-bis[2-(5-bromo-1H-indol-3-yl)ethyl]piperazin-4-ium-2-yl]indole
CID 54437679
9-(3-Bromo-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole
CID 57544240

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline?
The IUPAC name of 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline (CID 159006273) is 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline.
What is the SMILES notation for 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline?
The canonical SMILES for 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline is Brc1cccc(-n2c3ccccc3c3cnccc32)c1.Nc1cccc(-n2c3ccccc3c3ccccc32)c1.c1cc(N(c2cccc(-n3c4ccccc4c4cnccc43)c2)c2cccc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline?
The InChIKey is JRYNZXGGPBALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6.C18H14N2.C17H11BrN2/c1-5-22-47-41(18-1)42-19-2-6-23-48(42)56(47)38-15-9-12-35(30-38)55(36-13-10-16-39(31-36)57-49-24-7-3-20-43(49)45-33-53-28-26-51(45)57)37-14-11-17-40(32-37)58-50-25-8-4-21-44(50)46-34-54-29-27-52(46)58;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;18-12-4-3-5-13(10-12)20-16-7-2-1-6-14(16)15-11-19-9-8-17(15)20/h1-34H;1-12H,19H2;1-11H.
What are the key properties of 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline?
5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline has a molecular weight of 1324.40 g/mol, XLogP of 22.54, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline is sourced from PubChem (CID 159006273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).