8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine

C29H29N5 — CID 16729614

IUPAC8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine
SMILESCc1ccc(/N=c2\cc3n(C)c4ccc(N(C)C)cc4nc-3cc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C29H29N5/c1-19-6-10-21(11-7-19)30-24-17-27-29(18-25(24)31-22-12-8-20(2)9-13-22)34(5)28-15-14-23(33(3)4)16-26(28)32-27/h6-18,30H,1-5H3/b31-25+
InChIKeyQEWOMWSUVHUSKX-QCKNELIISA-N
MW447.59 g/mol
LogP6.34
Rot. Bonds4

About 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine

8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine (PubChem CID 16729614) has the molecular formula C29H29N5 and a molecular weight of 447.59 g/mol. Its IUPAC name is 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine.

Molecular Properties

Compound Name8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine
PubChem CID16729614
Molecular FormulaC29H29N5
Molecular Weight447.59 g/mol
Exact Mass447.24
IUPAC Name8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine
SMILESCc1ccc(/N=c2\cc3n(C)c4ccc(N(C)C)cc4nc-3cc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C29H29N5/c1-19-6-10-21(11-7-19)30-24-17-27-29(18-25(24)31-22-12-8-20(2)9-13-22)34(5)28-15-14-23(33(3)4)16-26(28)32-27/h6-18,30H,1-5H3/b31-25+
InChIKeyQEWOMWSUVHUSKX-QCKNELIISA-N
XLogP6.34
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine?
The IUPAC name of 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine (CID 16729614) is 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine.
What is the SMILES notation for 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine?
The canonical SMILES for 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine is Cc1ccc(/N=c2\cc3n(C)c4ccc(N(C)C)cc4nc-3cc2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine?
The InChIKey is QEWOMWSUVHUSKX-QCKNELIISA-N. The full InChI is InChI=1S/C29H29N5/c1-19-6-10-21(11-7-19)30-24-17-27-29(18-25(24)31-22-12-8-20(2)9-13-22)34(5)28-15-14-23(33(3)4)16-26(28)32-27/h6-18,30H,1-5H3/b31-25+.
What are the key properties of 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine?
8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine has a molecular weight of 447.59 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,5-trimethyl-2-N-(4-methylphenyl)-3-(4-methylphenyl)iminophenazine-2,8-diamine is sourced from PubChem (CID 16729614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).