1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine

C164H148BrN15O4S2 — CID 158755496

IUPAC1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc2[nH]c3c(-n4nc(-c5cccc(N(c6ccccn6)c6ccccc6-c6ccccc6)c5)c5ccccc54)cc(C(C)(C)C)cc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(-n4nc(-c5cccc(Br)c5)c5ccccc54)c32)cc1.Cc1ccc(S(=O)(=O)n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(-n4nc(-c5cccc(N(c6ccccn6)c6ccccc6-c6ccccc6)c5)c5ccccc54)c32)cc1.c1ccc(-c2ccccc2Nc2ccccn2)cc1
InChIInChI=1S/C57H51N5O2S.C50H45N5.C40H38BrN3O2S.C17H14N2/c1-38-27-30-44(31-28-38)65(63,64)62-51-32-29-41(56(2,3)4)35-47(51)48-36-42(57(5,6)7)37-52(55(48)62)61-50-25-14-12-23-46(50)54(59-61)40-20-17-21-43(34-40)60(53-26-15-16-33-58-53)49-24-13-11-22-45(49)39-18-9-8-10-19-39;1-49(2,3)35-26-27-42-40(30-35)41-31-36(50(4,5)6)32-45(48(41)52-42)55-44-24-13-11-22-39(44)47(53-55)34-19-16-20-37(29-34)54(46-25-14-15-28-51-46)43-23-12-10-21-38(43)33-17-8-7-9-18-33;1-25-15-18-30(19-16-25)47(45,46)44-35-20-17-27(39(2,3)4)22-32(35)33-23-28(40(5,6)7)24-36(38(33)44)43-34-14-9-8-13-31(34)37(42-43)26-11-10-12-29(41)21-26;1-2-8-14(9-3-1)15-10-4-5-11-16(15)19-17-12-6-7-13-18-17/h8-37H,1-7H3;7-32,52H,1-6H3;8-24H,1-7H3;1-13H,(H,18,19)
InChIKeyIOAGNTNELCWQTL-UHFFFAOYSA-N
MW2537.13 g/mol
LogP43.12
Rot. Bonds21

About 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine

1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine (PubChem CID 158755496) has the molecular formula C164H148BrN15O4S2 and a molecular weight of 2537.13 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine
PubChem CID158755496
Molecular FormulaC164H148BrN15O4S2
Molecular Weight2537.13 g/mol
Exact Mass2534.05
IUPAC Name1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc2[nH]c3c(-n4nc(-c5cccc(N(c6ccccn6)c6ccccc6-c6ccccc6)c5)c5ccccc54)cc(C(C)(C)C)cc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(-n4nc(-c5cccc(Br)c5)c5ccccc54)c32)cc1.Cc1ccc(S(=O)(=O)n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(-n4nc(-c5cccc(N(c6ccccn6)c6ccccc6-c6ccccc6)c5)c5ccccc54)c32)cc1.c1ccc(-c2ccccc2Nc2ccccn2)cc1
InChIInChI=1S/C57H51N5O2S.C50H45N5.C40H38BrN3O2S.C17H14N2/c1-38-27-30-44(31-28-38)65(63,64)62-51-32-29-41(56(2,3)4)35-47(51)48-36-42(57(5,6)7)37-52(55(48)62)61-50-25-14-12-23-46(50)54(59-61)40-20-17-21-43(34-40)60(53-26-15-16-33-58-53)49-24-13-11-22-45(49)39-18-9-8-10-19-39;1-49(2,3)35-26-27-42-40(30-35)41-31-36(50(4,5)6)32-45(48(41)52-42)55-44-24-13-11-22-39(44)47(53-55)34-19-16-20-37(29-34)54(46-25-14-15-28-51-46)43-23-12-10-21-38(43)33-17-8-7-9-18-33;1-25-15-18-30(19-16-25)47(45,46)44-35-20-17-27(39(2,3)4)22-32(35)33-23-28(40(5,6)7)24-36(38(33)44)43-34-14-9-8-13-31(34)37(42-43)26-11-10-12-29(41)21-26;1-2-8-14(9-3-1)15-10-4-5-11-16(15)19-17-12-6-7-13-18-17/h8-37H,1-7H3;7-32,52H,1-6H3;8-24H,1-7H3;1-13H,(H,18,19)
InChIKeyIOAGNTNELCWQTL-UHFFFAOYSA-N
XLogP43.12
TPSA204.57 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002537.13
LogP ≤ 543.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine with MolForge

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Related Compounds

N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine
CID 141642525
2-tert-butyl-1H-benzimidazole;2-tert-butyl-6-(dimethylamino)benzenesulfonamide;2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindole;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(2-tert-butylphenyl)-1-methylimidazole;N-(2-tert-butylphenyl)-N-methylmethanesulfonamide;1-(3-tert-butylphenyl)-4-methylpiperazine;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline
CID 157556886
4-bromo-1H-indole;7-bromo-5-methyl-1,2,4-benzotriazin-3-amine;4-bromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;1H-indol-4-ylboronic acid;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide);dihydrochloride
CID 158034298
7-(3-fluorophenyl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine;N-[4-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-2-pyridinyl]benzenesulfonamide;1-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide
CID 158496831
2-tert-butyl-1H-benzimidazole;2-tert-butyl-6-(dimethylamino)benzenesulfonamide;2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;4-tert-butyl-1,3-dimethylindole;5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;6-tert-butyl-1-methylindazole;4-(2-tert-butylphenyl)-1-methylimidazole;N-(2-tert-butylphenyl)-N-methylmethanesulfonamide;1-(3-tert-butylphenyl)-4-methylpiperazine;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline
CID 160410725
5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(1H-indol-5-yl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 160460639
2-tert-butyl-1H-benzimidazole;2-tert-butyl-6-(dimethylamino)benzenesulfonamide;2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;4-tert-butyl-1,3-dimethylindole;6-tert-butyl-1-methylindazole;4-(2-tert-butylphenyl)-1-methylimidazole;N-(2-tert-butylphenyl)-N-methylmethanesulfonamide;1-(3-tert-butylphenyl)-4-methylpiperazine;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline
CID 161149827
7-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenesulfonamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzenesulfonamide
CID 163673848

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine?
The IUPAC name of 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine (CID 158755496) is 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine.
What is the SMILES notation for 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine?
The canonical SMILES for 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine is CC(C)(C)c1ccc2[nH]c3c(-n4nc(-c5cccc(N(c6ccccn6)c6ccccc6-c6ccccc6)c5)c5ccccc54)cc(C(C)(C)C)cc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(-n4nc(-c5cccc(Br)c5)c5ccccc54)c32)cc1.Cc1ccc(S(=O)(=O)n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(-n4nc(-c5cccc(N(c6ccccn6)c6ccccc6-c6ccccc6)c5)c5ccccc54)c32)cc1.c1ccc(-c2ccccc2Nc2ccccn2)cc1.
What is the InChIKey of 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine?
The InChIKey is IOAGNTNELCWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N5O2S.C50H45N5.C40H38BrN3O2S.C17H14N2/c1-38-27-30-44(31-28-38)65(63,64)62-51-32-29-41(56(2,3)4)35-47(51)48-36-42(57(5,6)7)37-52(55(48)62)61-50-25-14-12-23-46(50)54(59-61)40-20-17-21-43(34-40)60(53-26-15-16-33-58-53)49-24-13-11-22-45(49)39-18-9-8-10-19-39;1-49(2,3)35-26-27-42-40(30-35)41-31-36(50(4,5)6)32-45(48(41)52-42)55-44-24-13-11-22-39(44)47(53-55)34-19-16-20-37(29-34)54(46-25-14-15-28-51-46)43-23-12-10-21-38(43)33-17-8-7-9-18-33;1-25-15-18-30(19-16-25)47(45,46)44-35-20-17-27(39(2,3)4)22-32(35)33-23-28(40(5,6)7)24-36(38(33)44)43-34-14-9-8-13-31(34)37(42-43)26-11-10-12-29(41)21-26;1-2-8-14(9-3-1)15-10-4-5-11-16(15)19-17-12-6-7-13-18-17/h8-37H,1-7H3;7-32,52H,1-6H3;8-24H,1-7H3;1-13H,(H,18,19).
What are the key properties of 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine?
1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine has a molecular weight of 2537.13 g/mol, XLogP of 43.12, 21 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)indazol-1-yl]-3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazole;N-[3-[1-(3,6-ditert-butyl-9H-carbazol-1-yl)indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-[3-[1-[3,6-ditert-butyl-9-(4-methylphenyl)sulfonylcarbazol-1-yl]indazol-3-yl]phenyl]-N-(2-phenylphenyl)pyridin-2-amine;N-(2-phenylphenyl)pyridin-2-amine is sourced from PubChem (CID 158755496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).