1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine

C37H31N3 — CID 71075915

IUPAC1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
SMILESCNc1ccc(NC)c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C37H31N3/c1-38-33-21-22-35(39-2)34(25-33)29-17-19-31(20-18-29)37-24-32(23-36(40-37)30-11-7-4-8-12-30)28-15-13-27(14-16-28)26-9-5-3-6-10-26/h3-25,38-39H,1-2H3
InChIKeyKCWVLCRYGMMOAY-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.50
Rot. Bonds7

About 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine

1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine (PubChem CID 71075915) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
PubChem CID71075915
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC Name1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
SMILESCNc1ccc(NC)c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C37H31N3/c1-38-33-21-22-35(39-2)34(25-33)29-17-19-31(20-18-29)37-24-32(23-36(40-37)30-11-7-4-8-12-30)28-15-13-27(14-16-28)26-9-5-3-6-10-26/h3-25,38-39H,1-2H3
InChIKeyKCWVLCRYGMMOAY-UHFFFAOYSA-N
XLogP9.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dimethyl-2-[3-[4-[3-(3-methylphenyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]benzene-1,4-diamine;1-N,4-N-dimethyl-2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]benzene-1,4-diamine;1-N,4-N-dimethyl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine;1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine;2-[4-(3,5-diphenylphenyl)-6-phenyl-2-pyridinyl]-1-N,4-N-dimethylbenzene-1,4-diamine
CID 161153063
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine
CID 143250733
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
CID 139456017

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine (CID 71075915) is 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine is CNc1ccc(NC)c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
The InChIKey is KCWVLCRYGMMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3/c1-38-33-21-22-35(39-2)34(25-33)29-17-19-31(20-18-29)37-24-32(23-36(40-37)30-11-7-4-8-12-30)28-15-13-27(14-16-28)26-9-5-3-6-10-26/h3-25,38-39H,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine?
1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine has a molecular weight of 517.68 g/mol, XLogP of 9.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 71075915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).