benzene-1,4-diamine;9H-carbazole-3,6-diamine

C18H19N5 — CID 155092282

IUPACbenzene-1,4-diamine;9H-carbazole-3,6-diamine
SMILESNc1ccc(N)cc1.Nc1ccc2[nH]c3ccc(N)cc3c2c1
InChIInChI=1S/C12H11N3.C6H8N2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;7-5-1-2-6(8)4-3-5/h1-6,15H,13-14H2;1-4H,7-8H2
InChIKeyNVIUNOYVEHVCBQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.34
Rot. Bonds

About benzene-1,4-diamine;9H-carbazole-3,6-diamine

benzene-1,4-diamine;9H-carbazole-3,6-diamine (PubChem CID 155092282) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzene-1,4-diamine;9H-carbazole-3,6-diamine.

Molecular Properties

Compound Namebenzene-1,4-diamine;9H-carbazole-3,6-diamine
PubChem CID155092282
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Namebenzene-1,4-diamine;9H-carbazole-3,6-diamine
SMILESNc1ccc(N)cc1.Nc1ccc2[nH]c3ccc(N)cc3c2c1
InChIInChI=1S/C12H11N3.C6H8N2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;7-5-1-2-6(8)4-3-5/h1-6,15H,13-14H2;1-4H,7-8H2
InChIKeyNVIUNOYVEHVCBQ-UHFFFAOYSA-N
XLogP3.34
TPSA119.87 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;9H-carbazole-3,6-diamine?
The IUPAC name of benzene-1,4-diamine;9H-carbazole-3,6-diamine (CID 155092282) is benzene-1,4-diamine;9H-carbazole-3,6-diamine.
What is the SMILES notation for benzene-1,4-diamine;9H-carbazole-3,6-diamine?
The canonical SMILES for benzene-1,4-diamine;9H-carbazole-3,6-diamine is Nc1ccc(N)cc1.Nc1ccc2[nH]c3ccc(N)cc3c2c1.
What is the InChIKey of benzene-1,4-diamine;9H-carbazole-3,6-diamine?
The InChIKey is NVIUNOYVEHVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3.C6H8N2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;7-5-1-2-6(8)4-3-5/h1-6,15H,13-14H2;1-4H,7-8H2.
What are the key properties of benzene-1,4-diamine;9H-carbazole-3,6-diamine?
benzene-1,4-diamine;9H-carbazole-3,6-diamine has a molecular weight of 305.38 g/mol, XLogP of 3.34, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;9H-carbazole-3,6-diamine is sourced from PubChem (CID 155092282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).