N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline

C50H40N2 — CID 58607367

IUPACN-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline
SMILESNC(=CC=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C50H40N2/c51-50(38-37-49(42-22-10-3-11-23-42)43-24-12-4-13-25-43)44-31-35-47(36-32-44)52(45-26-14-5-15-27-45)46-33-29-39(30-34-46)17-16-28-48(40-18-6-1-7-19-40)41-20-8-2-9-21-41/h1-38H,51H2
InChIKeyNORCOFDKYMHVIM-UHFFFAOYSA-N
MW668.88 g/mol
LogP12.73
Rot. Bonds11

About N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline

N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline (PubChem CID 58607367) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline
PubChem CID58607367
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline
SMILESNC(=CC=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C50H40N2/c51-50(38-37-49(42-22-10-3-11-23-42)43-24-12-4-13-25-43)44-31-35-47(36-32-44)52(45-26-14-5-15-27-45)46-33-29-39(30-34-46)17-16-28-48(40-18-6-1-7-19-40)41-20-8-2-9-21-41/h1-38H,51H2
InChIKeyNORCOFDKYMHVIM-UHFFFAOYSA-N
XLogP12.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline?
The IUPAC name of N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline (CID 58607367) is N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline.
What is the SMILES notation for N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline?
The canonical SMILES for N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline is NC(=CC=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline?
The InChIKey is NORCOFDKYMHVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c51-50(38-37-49(42-22-10-3-11-23-42)43-24-12-4-13-25-43)44-31-35-47(36-32-44)52(45-26-14-5-15-27-45)46-33-29-39(30-34-46)17-16-28-48(40-18-6-1-7-19-40)41-20-8-2-9-21-41/h1-38H,51H2.
What are the key properties of N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline?
N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline has a molecular weight of 668.88 g/mol, XLogP of 12.73, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline is sourced from PubChem (CID 58607367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).