1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole

C95H75N5 — CID 159994070

IUPAC1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/5C19H15N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-8-7-12-17-16-11-5-6-13-18(16)20(19(14)17)15-9-3-2-4-10-15;1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15/h5*2-13H,1H3
InChIKeyOHHZHDSQEMQMES-UHFFFAOYSA-N
MW1286.68 g/mol
LogP25.46
Rot. Bonds5

About 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole

1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole (PubChem CID 159994070) has the molecular formula C95H75N5 and a molecular weight of 1286.68 g/mol. Its IUPAC name is 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
PubChem CID159994070
Molecular FormulaC95H75N5
Molecular Weight1286.68 g/mol
Exact Mass1285.60
IUPAC Name1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/5C19H15N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-8-7-12-17-16-11-5-6-13-18(16)20(19(14)17)15-9-3-2-4-10-15;1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15/h5*2-13H,1H3
InChIKeyOHHZHDSQEMQMES-UHFFFAOYSA-N
XLogP25.46
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.68
LogP ≤ 525.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 157467248
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1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;1-(4-methylphenyl)-9-phenylcarbazole
CID 160931079
1-methyl-5,9-diphenylcarbazole;1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;2-methyl-7,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-2,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;6-methyl-2,9-diphenylcarbazole
CID 161145028
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
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CID 159290394
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
2-methyl-9-phenylcarbazole
CID 59552741
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole?
The IUPAC name of 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole (CID 159994070) is 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole.
What is the SMILES notation for 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole?
The canonical SMILES for 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole?
The InChIKey is OHHZHDSQEMQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/5C19H15N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-8-7-12-17-16-11-5-6-13-18(16)20(19(14)17)15-9-3-2-4-10-15;1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15/h5*2-13H,1H3.
What are the key properties of 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole?
1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole has a molecular weight of 1286.68 g/mol, XLogP of 25.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole is sourced from PubChem (CID 159994070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).