2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline

C26H22N2 — CID 167083983

IUPAC2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline
SMILESCc1cc(-c2cc(C)c3c(c2)c2ccccc2n3-c2ccccc2)ccc1N
InChIInChI=1S/C26H22N2/c1-17-14-19(12-13-24(17)27)20-15-18(2)26-23(16-20)22-10-6-7-11-25(22)28(26)21-8-4-3-5-9-21/h3-16H,27H2,1-2H3
InChIKeyQOAOZACZKRYTNH-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.65
Rot. Bonds2

About 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline

2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline (PubChem CID 167083983) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline
PubChem CID167083983
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline
SMILESCc1cc(-c2cc(C)c3c(c2)c2ccccc2n3-c2ccccc2)ccc1N
InChIInChI=1S/C26H22N2/c1-17-14-19(12-13-24(17)27)20-15-18(2)26-23(16-20)22-10-6-7-11-25(22)28(26)21-8-4-3-5-9-21/h3-16H,27H2,1-2H3
InChIKeyQOAOZACZKRYTNH-UHFFFAOYSA-N
XLogP6.65
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
4-methyl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 148666975
1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)carbazole;1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazole
CID 157284069
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline?
The IUPAC name of 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline (CID 167083983) is 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline is Cc1cc(-c2cc(C)c3c(c2)c2ccccc2n3-c2ccccc2)ccc1N.
What is the InChIKey of 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline?
The InChIKey is QOAOZACZKRYTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-17-14-19(12-13-24(17)27)20-15-18(2)26-23(16-20)22-10-6-7-11-25(22)28(26)21-8-4-3-5-9-21/h3-16H,27H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline?
2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline has a molecular weight of 362.48 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 167083983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).