9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole

C97H79N5 — CID 157294654

IUPAC9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3C)cc1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2C.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H19N.2C20H17N.C19H15N.C13H11N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-14-7-3-4-8-16(14)15-11-12-20-18(13-15)17-9-5-6-10-19(17)21(20)2;1-14-7-9-15(10-8-14)16-11-12-20-18(13-16)17-5-3-4-6-19(17)21(20)2;1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)14-7-3-2-4-8-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-17H,1H3;2*3-13H,1-2H3;2-13H,1H3;2-9H,1H3
InChIKeyBBFBEYDYIGDULA-UHFFFAOYSA-N
MW1314.73 g/mol
LogP25.61
Rot. Bonds5

About 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole

9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole (PubChem CID 157294654) has the molecular formula C97H79N5 and a molecular weight of 1314.73 g/mol. Its IUPAC name is 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole.

Molecular Properties

Compound Name9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole
PubChem CID157294654
Molecular FormulaC97H79N5
Molecular Weight1314.73 g/mol
Exact Mass1313.63
IUPAC Name9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3C)cc1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2C.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H19N.2C20H17N.C19H15N.C13H11N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-14-7-3-4-8-16(14)15-11-12-20-18(13-15)17-9-5-6-10-19(17)21(20)2;1-14-7-9-15(10-8-14)16-11-12-20-18(13-16)17-5-3-4-6-19(17)21(20)2;1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)14-7-3-2-4-8-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-17H,1H3;2*3-13H,1-2H3;2-13H,1H3;2-9H,1H3
InChIKeyBBFBEYDYIGDULA-UHFFFAOYSA-N
XLogP25.61
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.73
LogP ≤ 525.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
3,9-dimethyl-6-phenylcarbazole
CID 59499447
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene
CID 157291813
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
CID 160608277
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
9-methylcarbazole;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3,6,9-trimethylcarbazole
CID 159340323
2-(9-methylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 144884258
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
10-methyl-2-phenylacridin-9-one
CID 18533849

Frequently Asked Questions

What is the IUPAC name of 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole?
The IUPAC name of 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole (CID 157294654) is 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole.
What is the SMILES notation for 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole?
The canonical SMILES for 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3C)cc1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2C.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3)ccc21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole?
The InChIKey is BBFBEYDYIGDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.2C20H17N.C19H15N.C13H11N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-14-7-3-4-8-16(14)15-11-12-20-18(13-15)17-9-5-6-10-19(17)21(20)2;1-14-7-9-15(10-8-14)16-11-12-20-18(13-16)17-5-3-4-6-19(17)21(20)2;1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)14-7-3-2-4-8-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-17H,1H3;2*3-13H,1-2H3;2-13H,1H3;2-9H,1H3.
What are the key properties of 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole?
9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole has a molecular weight of 1314.73 g/mol, XLogP of 25.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole is sourced from PubChem (CID 157294654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).