3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine

C27H27N5 — CID 139518693

IUPAC3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine
SMILESCN(c1ccc(N)cc1)c1ccc2c(c1)c1cc(N(C)c3ccc(N)cc3)ccc1n2C
InChIInChI=1S/C27H27N5/c1-30(20-8-4-18(28)5-9-20)22-12-14-26-24(16-22)25-17-23(13-15-27(25)32(26)3)31(2)21-10-6-19(29)7-11-21/h4-17H,28-29H2,1-3H3
InChIKeyOHJKQONUYZXKJT-UHFFFAOYSA-N
MW421.55 g/mol
LogP6.03
Rot. Bonds4

About 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine

3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine (PubChem CID 139518693) has the molecular formula C27H27N5 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine
PubChem CID139518693
Molecular FormulaC27H27N5
Molecular Weight421.55 g/mol
Exact Mass421.23
IUPAC Name3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine
SMILESCN(c1ccc(N)cc1)c1ccc2c(c1)c1cc(N(C)c3ccc(N)cc3)ccc1n2C
InChIInChI=1S/C27H27N5/c1-30(20-8-4-18(28)5-9-20)22-12-14-26-24(16-22)25-17-23(13-15-27(25)32(26)3)31(2)21-10-6-19(29)7-11-21/h4-17H,28-29H2,1-3H3
InChIKeyOHJKQONUYZXKJT-UHFFFAOYSA-N
XLogP6.03
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine (CID 139518693) is 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine is CN(c1ccc(N)cc1)c1ccc2c(c1)c1cc(N(C)c3ccc(N)cc3)ccc1n2C.
What is the InChIKey of 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine?
The InChIKey is OHJKQONUYZXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5/c1-30(20-8-4-18(28)5-9-20)22-12-14-26-24(16-22)25-17-23(13-15-27(25)32(26)3)31(2)21-10-6-19(29)7-11-21/h4-17H,28-29H2,1-3H3.
What are the key properties of 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine?
3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine has a molecular weight of 421.55 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine is sourced from PubChem (CID 139518693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).