9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole

C104H100BrN5O3 — CID 165068704

IUPAC9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole
SMILESCOc1c(C)c(C)c2[nH]c3ccccc3c2c1C.COc1c(C)c(C)c2c(c1C)c1ccccc1n2Cc1ccccc1.Cc1c(Br)c(C)c2c3ccccc3n(Cc3ccccc3)c2c1C.Cc1cc(C)c2c3ccccc3n(Cc3ccccc3)c2c1C.Cc1cc(O)c2c3ccccc3n(Cc3ccccc3)c2c1C
InChIInChI=1S/C23H23NO.C22H20BrN.C22H21N.C21H19NO.C16H17NO/c1-15-16(2)23(25-4)17(3)21-19-12-8-9-13-20(19)24(22(15)21)14-18-10-6-5-7-11-18;1-14-15(2)22-20(16(3)21(14)23)18-11-7-8-12-19(18)24(22)13-17-9-5-4-6-10-17;1-15-13-16(2)21-19-11-7-8-12-20(19)23(22(21)17(15)3)14-18-9-5-4-6-10-18;1-14-12-19(23)20-17-10-6-7-11-18(17)22(21(20)15(14)2)13-16-8-4-3-5-9-16;1-9-10(2)16(18-4)11(3)14-12-7-5-6-8-13(12)17-15(9)14/h5-13H,14H2,1-4H3;4-12H,13H2,1-3H3;4-13H,14H2,1-3H3;3-12,23H,13H2,1-2H3;5-8,17H,1-4H3
InChIKeySJWLSQSLZVVQTI-UHFFFAOYSA-N
MW1547.88 g/mol
LogP27.50
Rot. Bonds10

About 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole

9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole (PubChem CID 165068704) has the molecular formula C104H100BrN5O3 and a molecular weight of 1547.88 g/mol. Its IUPAC name is 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole.

Molecular Properties

Compound Name9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole
PubChem CID165068704
Molecular FormulaC104H100BrN5O3
Molecular Weight1547.88 g/mol
Exact Mass1545.70
IUPAC Name9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole
SMILESCOc1c(C)c(C)c2[nH]c3ccccc3c2c1C.COc1c(C)c(C)c2c(c1C)c1ccccc1n2Cc1ccccc1.Cc1c(Br)c(C)c2c3ccccc3n(Cc3ccccc3)c2c1C.Cc1cc(C)c2c3ccccc3n(Cc3ccccc3)c2c1C.Cc1cc(O)c2c3ccccc3n(Cc3ccccc3)c2c1C
InChIInChI=1S/C23H23NO.C22H20BrN.C22H21N.C21H19NO.C16H17NO/c1-15-16(2)23(25-4)17(3)21-19-12-8-9-13-20(19)24(22(15)21)14-18-10-6-5-7-11-18;1-14-15(2)22-20(16(3)21(14)23)18-11-7-8-12-19(18)24(22)13-17-9-5-4-6-10-17;1-15-13-16(2)21-19-11-7-8-12-20(19)23(22(21)17(15)3)14-18-9-5-4-6-10-18;1-14-12-19(23)20-17-10-6-7-11-18(17)22(21(20)15(14)2)13-16-8-4-3-5-9-16;1-9-10(2)16(18-4)11(3)14-12-7-5-6-8-13(12)17-15(9)14/h5-13H,14H2,1-4H3;4-12H,13H2,1-3H3;4-13H,14H2,1-3H3;3-12,23H,13H2,1-2H3;5-8,17H,1-4H3
InChIKeySJWLSQSLZVVQTI-UHFFFAOYSA-N
XLogP27.50
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.88
LogP ≤ 527.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole with MolForge

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Related Compounds

9-bromo-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8,10-difluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;tris(3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole);3,8-dimethyl-10-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;9-fluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;10-methoxy-3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;5-methyl-13,15-dioxa-5,9-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene;3,8,9-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 167574610
1-[2,5-dibromo-4-(4-methoxy-9H-carbazol-1-yl)phenyl]-4-methoxy-9H-carbazole
CID 141636024
2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole
CID 157488002
1-[(2-bromophenyl)methyl]-4-methoxy-2-methyl-7,8-dihydro-6H-cyclopenta[g]indole;4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 157615132
6-bromo-1-(1,3-dihydroisoindol-2-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(4-propan-2-ylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157889180
3-bromo-9-tert-butylcarbazole;9-tert-butyl-3,6-dimethylcarbazole;9-tert-butyl-3,6-diphenylcarbazole;9-tert-butyl-3-methoxycarbazole;9-tert-butyl-2-methoxy-7-methylcarbazole;9-tert-butyl-3-methoxy-6-methylcarbazole;9-tert-butyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,7-dibromo-9-tert-butylcarbazole;3,6-dibromo-9-tert-butylcarbazole;3,6,9-tritert-butylcarbazole
CID 159163473
9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene
CID 159437206
1-benzyl-2-ethyl-4-methoxybenzo[g]indole;2-ethyl-4-methoxy-1H-benzo[g]indole
CID 159760980
2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole
CID 159891368
2,6-ditert-butyl-1-(difluoromethyl)indole;2,6-ditert-butyl-1,4-dimethylindole;2,6-ditert-butyl-1-ethylindole;2,6-ditert-butyl-1-(fluoromethyl)indole;2,6-ditert-butyl-4-methoxy-1H-indole;2,6-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-propan-2-ylindole
CID 161719244
3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 162034040
2-[3,5-bis(1-methyl-3-phenylindol-2-yl)phenyl]-1-methyl-3-phenylindole;3-(2,3-diphenyl-1H-indol-7-yl)-2-methyl-1-phenylbenzo[f]indole;2-ethyl-1,3-diphenylbenzo[f]indole;5-methoxy-2-[6-(5-methoxy-1-methyl-3-phenylindol-2-yl)naphthalen-2-yl]-1-methyl-3-phenylindole;1-methyl-2-[4-[4-(1-methyl-3-phenylindol-2-yl)phenyl]phenyl]-3-phenylindole
CID 162210961

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole?
The IUPAC name of 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole (CID 165068704) is 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole.
What is the SMILES notation for 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole?
The canonical SMILES for 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole is COc1c(C)c(C)c2[nH]c3ccccc3c2c1C.COc1c(C)c(C)c2c(c1C)c1ccccc1n2Cc1ccccc1.Cc1c(Br)c(C)c2c3ccccc3n(Cc3ccccc3)c2c1C.Cc1cc(C)c2c3ccccc3n(Cc3ccccc3)c2c1C.Cc1cc(O)c2c3ccccc3n(Cc3ccccc3)c2c1C.
What is the InChIKey of 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole?
The InChIKey is SJWLSQSLZVVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO.C22H20BrN.C22H21N.C21H19NO.C16H17NO/c1-15-16(2)23(25-4)17(3)21-19-12-8-9-13-20(19)24(22(15)21)14-18-10-6-5-7-11-18;1-14-15(2)22-20(16(3)21(14)23)18-11-7-8-12-19(18)24(22)13-17-9-5-4-6-10-17;1-15-13-16(2)21-19-11-7-8-12-20(19)23(22(21)17(15)3)14-18-9-5-4-6-10-18;1-14-12-19(23)20-17-10-6-7-11-18(17)22(21(20)15(14)2)13-16-8-4-3-5-9-16;1-9-10(2)16(18-4)11(3)14-12-7-5-6-8-13(12)17-15(9)14/h5-13H,14H2,1-4H3;4-12H,13H2,1-3H3;4-13H,14H2,1-3H3;3-12,23H,13H2,1-2H3;5-8,17H,1-4H3.
What are the key properties of 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole?
9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole has a molecular weight of 1547.88 g/mol, XLogP of 27.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-bromo-1,2,4-trimethylcarbazole;9-benzyl-1,2-dimethylcarbazol-4-ol;9-benzyl-3-methoxy-1,2,4-trimethylcarbazole;9-benzyl-1,2,4-trimethylcarbazole;3-methoxy-1,2,4-trimethyl-9H-carbazole is sourced from PubChem (CID 165068704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).