4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline

C27H24N2 — CID 143119094

IUPAC4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C27H24N2/c1-18-3-13-26-24(15-18)25-16-19(2)4-14-27(25)29(26)23-11-7-21(8-12-23)17-20-5-9-22(28)10-6-20/h3-16H,17,28H2,1-2H3
InChIKeyVAQZHFQQEXICJV-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.57
Rot. Bonds3

About 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline

4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline (PubChem CID 143119094) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
PubChem CID143119094
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C27H24N2/c1-18-3-13-26-24(15-18)25-16-19(2)4-14-27(25)29(26)23-11-7-21(8-12-23)17-20-5-9-22(28)10-6-20/h3-16H,17,28H2,1-2H3
InChIKeyVAQZHFQQEXICJV-UHFFFAOYSA-N
XLogP6.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 59464803
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753
3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 145348013
2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol
CID 144989095
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
CID 146531656
9-(4-fluorophenyl)carbazole-3,6-diamine
CID 89271957

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline?
The IUPAC name of 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline (CID 143119094) is 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline?
The InChIKey is VAQZHFQQEXICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-18-3-13-26-24(15-18)25-16-19(2)4-14-27(25)29(26)23-11-7-21(8-12-23)17-20-5-9-22(28)10-6-20/h3-16H,17,28H2,1-2H3.
What are the key properties of 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline?
4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline has a molecular weight of 376.50 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline is sourced from PubChem (CID 143119094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).