9H-carbazole;9H-carbazole-3,6-diamine

C24H20N4 — CID 161182207

IUPAC9H-carbazole;9H-carbazole-3,6-diamine
SMILESNc1ccc2[nH]c3ccc(N)cc3c2c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H11N3.C12H9N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-6,15H,13-14H2;1-8,13H
InChIKeyUSPOIDIBNKYUKX-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.81
Rot. Bonds

About 9H-carbazole;9H-carbazole-3,6-diamine

9H-carbazole;9H-carbazole-3,6-diamine (PubChem CID 161182207) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 9H-carbazole;9H-carbazole-3,6-diamine.

Molecular Properties

Compound Name9H-carbazole;9H-carbazole-3,6-diamine
PubChem CID161182207
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name9H-carbazole;9H-carbazole-3,6-diamine
SMILESNc1ccc2[nH]c3ccc(N)cc3c2c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H11N3.C12H9N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-6,15H,13-14H2;1-8,13H
InChIKeyUSPOIDIBNKYUKX-UHFFFAOYSA-N
XLogP5.81
TPSA83.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole
CID 66668984
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
2-(9H-carbazol-2-yl)benzene-1,4-diamine
CID 175102492
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
9H-carbazol-3-ylmethanamine
CID 42281639
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;9H-carbazole-3,6-diamine?
The IUPAC name of 9H-carbazole;9H-carbazole-3,6-diamine (CID 161182207) is 9H-carbazole;9H-carbazole-3,6-diamine.
What is the SMILES notation for 9H-carbazole;9H-carbazole-3,6-diamine?
The canonical SMILES for 9H-carbazole;9H-carbazole-3,6-diamine is Nc1ccc2[nH]c3ccc(N)cc3c2c1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;9H-carbazole-3,6-diamine?
The InChIKey is USPOIDIBNKYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3.C12H9N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-6,15H,13-14H2;1-8,13H.
What are the key properties of 9H-carbazole;9H-carbazole-3,6-diamine?
9H-carbazole;9H-carbazole-3,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.81, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;9H-carbazole-3,6-diamine is sourced from PubChem (CID 161182207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).