3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine

C24H21N5 — CID 58471803

IUPAC3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine
SMILESNc1ccccc1-c1cc2c(cc1N)[nH]c1cc(N)c(-c3ccccc3N)cc12
InChIInChI=1S/C24H21N5/c25-19-7-3-1-5-13(19)15-9-17-18-10-16(14-6-2-4-8-20(14)26)22(28)12-24(18)29-23(17)11-21(15)27/h1-12,29H,25-28H2
InChIKeyAXGNOOCAXZUUIC-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.98
Rot. Bonds2

About 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine

3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine (PubChem CID 58471803) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine.

Molecular Properties

Compound Name3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine
PubChem CID58471803
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine
SMILESNc1ccccc1-c1cc2c(cc1N)[nH]c1cc(N)c(-c3ccccc3N)cc12
InChIInChI=1S/C24H21N5/c25-19-7-3-1-5-13(19)15-9-17-18-10-16(14-6-2-4-8-20(14)26)22(28)12-24(18)29-23(17)11-21(15)27/h1-12,29H,25-28H2
InChIKeyAXGNOOCAXZUUIC-UHFFFAOYSA-N
XLogP4.98
TPSA119.87 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine?
The IUPAC name of 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine (CID 58471803) is 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine.
What is the SMILES notation for 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine?
The canonical SMILES for 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine is Nc1ccccc1-c1cc2c(cc1N)[nH]c1cc(N)c(-c3ccccc3N)cc12.
What is the InChIKey of 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine?
The InChIKey is AXGNOOCAXZUUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c25-19-7-3-1-5-13(19)15-9-17-18-10-16(14-6-2-4-8-20(14)26)22(28)12-24(18)29-23(17)11-21(15)27/h1-12,29H,25-28H2.
What are the key properties of 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine?
3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine has a molecular weight of 379.47 g/mol, XLogP of 4.98, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine is sourced from PubChem (CID 58471803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).