3-benzyl-9-phenylcarbazol-1-amine

C25H20N2 — CID 129172795

IUPAC3-benzyl-9-phenylcarbazol-1-amine
SMILESNc1cc(Cc2ccccc2)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C25H20N2/c26-23-17-19(15-18-9-3-1-4-10-18)16-22-21-13-7-8-14-24(21)27(25(22)23)20-11-5-2-6-12-20/h1-14,16-17H,15,26H2
InChIKeyMLDAMSVVXCJKDB-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.96
Rot. Bonds3

About 3-benzyl-9-phenylcarbazol-1-amine

3-benzyl-9-phenylcarbazol-1-amine (PubChem CID 129172795) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-benzyl-9-phenylcarbazol-1-amine.

Molecular Properties

Compound Name3-benzyl-9-phenylcarbazol-1-amine
PubChem CID129172795
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-benzyl-9-phenylcarbazol-1-amine
SMILESNc1cc(Cc2ccccc2)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C25H20N2/c26-23-17-19(15-18-9-3-1-4-10-18)16-22-21-13-7-8-14-24(21)27(25(22)23)20-11-5-2-6-12-20/h1-14,16-17H,15,26H2
InChIKeyMLDAMSVVXCJKDB-UHFFFAOYSA-N
XLogP5.96
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.96
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

6-benzyl-9-triphenylen-2-ylcarbazol-1-amine
CID 129021677
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
4-[(9-phenylcarbazol-1-yl)methyl]furan-3-amine
CID 144816467
5-bromo-11-phenylbenzo[a]carbazole
CID 58410432
9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147032
2-methyl-4-(1-methyl-9-phenylcarbazol-3-yl)aniline
CID 167083983
2-benzyl-9-(4-fluorophenyl)carbazole
CID 161167976
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-phenylcarbazol-1-amine?
The IUPAC name of 3-benzyl-9-phenylcarbazol-1-amine (CID 129172795) is 3-benzyl-9-phenylcarbazol-1-amine.
What is the SMILES notation for 3-benzyl-9-phenylcarbazol-1-amine?
The canonical SMILES for 3-benzyl-9-phenylcarbazol-1-amine is Nc1cc(Cc2ccccc2)cc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 3-benzyl-9-phenylcarbazol-1-amine?
The InChIKey is MLDAMSVVXCJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c26-23-17-19(15-18-9-3-1-4-10-18)16-22-21-13-7-8-14-24(21)27(25(22)23)20-11-5-2-6-12-20/h1-14,16-17H,15,26H2.
What are the key properties of 3-benzyl-9-phenylcarbazol-1-amine?
3-benzyl-9-phenylcarbazol-1-amine has a molecular weight of 348.45 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9-phenylcarbazol-1-amine is sourced from PubChem (CID 129172795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).