4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine

C59H44N4 — CID 140908500

IUPAC4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
SMILESCc1cnc(-c2cccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)c2)cc1-c1ccccc1
InChIInChI=1S/C59H44N4/c1-43-42-61-59(41-57(43)47-18-8-3-9-19-47)50-21-15-27-56(39-50)63(54-34-32-53(33-35-54)62(51-22-10-4-11-23-51)52-24-12-5-13-25-52)55-26-14-20-49(38-55)58-40-48(36-37-60-58)46-30-28-45(29-31-46)44-16-6-2-7-17-44/h2-42H,1H3
InChIKeySJRMNAOUILJAED-UHFFFAOYSA-N
MW809.03 g/mol
LogP16.06
Rot. Bonds11

About 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine

4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine (PubChem CID 140908500) has the molecular formula C59H44N4 and a molecular weight of 809.03 g/mol. Its IUPAC name is 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
PubChem CID140908500
Molecular FormulaC59H44N4
Molecular Weight809.03 g/mol
Exact Mass808.36
IUPAC Name4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
SMILESCc1cnc(-c2cccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)c2)cc1-c1ccccc1
InChIInChI=1S/C59H44N4/c1-43-42-61-59(41-57(43)47-18-8-3-9-19-47)50-21-15-27-56(39-50)63(54-34-32-53(33-35-54)62(51-22-10-4-11-23-51)52-24-12-5-13-25-52)55-26-14-20-49(38-55)58-40-48(36-37-60-58)46-30-28-45(29-31-46)44-16-6-2-7-17-44/h2-42H,1H3
InChIKeySJRMNAOUILJAED-UHFFFAOYSA-N
XLogP16.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
CID 140908798
2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
CID 140898216
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
CID 140908764
2-(3-bromophenyl)-5-methyl-4-phenylpyridine;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
CID 160541704
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine (CID 140908500) is 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine is Cc1cnc(-c2cccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
The InChIKey is SJRMNAOUILJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4/c1-43-42-61-59(41-57(43)47-18-8-3-9-19-47)50-21-15-27-56(39-50)63(54-34-32-53(33-35-54)62(51-22-10-4-11-23-51)52-24-12-5-13-25-52)55-26-14-20-49(38-55)58-40-48(36-37-60-58)46-30-28-45(29-31-46)44-16-6-2-7-17-44/h2-42H,1H3.
What are the key properties of 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine has a molecular weight of 809.03 g/mol, XLogP of 16.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 140908500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).