1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine

C40H34N4 — CID 58895012

IUPAC1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C40H34N4/c1-27-9-17-31(18-10-27)43(32-19-11-28(2)12-20-32)37-25-26-38(40-39(37)41-35-7-5-6-8-36(35)42-40)44(33-21-13-29(3)14-22-33)34-23-15-30(4)16-24-34/h5-26H,1-4H3
InChIKeyVKAHMRPGZLXHTD-UHFFFAOYSA-N
MW570.74 g/mol
LogP10.96
Rot. Bonds6

About 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine (PubChem CID 58895012) has the molecular formula C40H34N4 and a molecular weight of 570.74 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine
PubChem CID58895012
Molecular FormulaC40H34N4
Molecular Weight570.74 g/mol
Exact Mass570.28
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C40H34N4/c1-27-9-17-31(18-10-27)43(32-19-11-28(2)12-20-32)37-25-26-38(40-39(37)41-35-7-5-6-8-36(35)42-40)44(33-21-13-29(3)14-22-33)34-23-15-30(4)16-24-34/h5-26H,1-4H3
InChIKeyVKAHMRPGZLXHTD-UHFFFAOYSA-N
XLogP10.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
CID 143438485
1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine
CID 58895007
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 23557767
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
10-N,10-N,13-N,13-N-tetrakis(4-phenylphenyl)phenanthro[9,10-b]quinoxaline-10,13-diamine
CID 58895026
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine (CID 58895012) is 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine?
The InChIKey is VKAHMRPGZLXHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4/c1-27-9-17-31(18-10-27)43(32-19-11-28(2)12-20-32)37-25-26-38(40-39(37)41-35-7-5-6-8-36(35)42-40)44(33-21-13-29(3)14-22-33)34-23-15-30(4)16-24-34/h5-26H,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine has a molecular weight of 570.74 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)phenazine-1,4-diamine is sourced from PubChem (CID 58895012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).