1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine

C54H42N4 — CID 24872736

IUPAC1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H42N4/c1-7-21-43(22-8-1)55(44-23-9-2-10-24-44)49-35-39-51(40-36-49)57(47-29-15-5-16-30-47)53-33-19-20-34-54(53)58(48-31-17-6-18-32-48)52-41-37-50(38-42-52)56(45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H
InChIKeySFUBPMCTWADRQB-UHFFFAOYSA-N
MW746.96 g/mol
LogP15.57
Rot. Bonds12

About 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine

1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine (PubChem CID 24872736) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
PubChem CID24872736
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H42N4/c1-7-21-43(22-8-1)55(44-23-9-2-10-24-44)49-35-39-51(40-36-49)57(47-29-15-5-16-30-47)53-33-19-20-34-54(53)58(48-31-17-6-18-32-48)52-41-37-50(38-42-52)56(45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H
InChIKeySFUBPMCTWADRQB-UHFFFAOYSA-N
XLogP15.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine (CID 24872736) is 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine?
The InChIKey is SFUBPMCTWADRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-7-21-43(22-8-1)55(44-23-9-2-10-24-44)49-35-39-51(40-36-49)57(47-29-15-5-16-30-47)53-33-19-20-34-54(53)58(48-31-17-6-18-32-48)52-41-37-50(38-42-52)56(45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H.
What are the key properties of 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine?
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine has a molecular weight of 746.96 g/mol, XLogP of 15.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 24872736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).