1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine

C34H34N4 — CID 177074307

IUPAC1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
SMILESCc1cc(C)c(N(c2ccc(N(c3ccccn3)c3ccccn3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C34H34N4/c1-23-19-25(3)33(26(4)20-23)38(34-27(5)21-24(2)22-28(34)6)30-15-13-29(14-16-30)37(31-11-7-9-17-35-31)32-12-8-10-18-36-32/h7-22H,1-6H3
InChIKeyHEYMHKLBSORAPS-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.27
Rot. Bonds6

About 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine

1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (PubChem CID 177074307) has the molecular formula C34H34N4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
PubChem CID177074307
Molecular FormulaC34H34N4
Molecular Weight498.67 g/mol
Exact Mass498.28
IUPAC Name1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
SMILESCc1cc(C)c(N(c2ccc(N(c3ccccn3)c3ccccn3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C34H34N4/c1-23-19-25(3)33(26(4)20-23)38(34-27(5)21-24(2)22-28(34)6)30-15-13-29(14-16-30)37(31-11-7-9-17-35-31)32-12-8-10-18-36-32/h7-22H,1-6H3
InChIKeyHEYMHKLBSORAPS-UHFFFAOYSA-N
XLogP9.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074297
N-[4-[[4-(dipyridin-2-ylamino)phenyl]-dimethylsilyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 101222424
2-N,2-N,7-N,7-N-tetrapyridin-2-ylnaphthalene-2,7-diamine
CID 102277389
N-[4-bis[4-(dipyridin-2-ylamino)phenyl]boranylphenyl]-N-pyridin-2-ylpyridin-2-amine
CID 71420299
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
1-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-1-N-[4-[N-(2,4,6-trimethylphenyl)-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)anilino]phenyl]-4-N-[4-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-N-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]anilino]phenyl]benzene-1,4-diamine
CID 59426653
N-methyl-N-(4-methylphenyl)pyridin-2-amine
CID 89072599
1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,3-N,3-N,6-N,8-N,8-N-hexapyridin-2-ylpyrene-1,3,6,8-tetramine
CID 59309082
1-N-(4-tert-butyl-2,6-dimethylphenyl)-4-N-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-1-N-phenyl-4-N-(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 59426672
2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
CID 155627594
2,4,6-trimethyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-[4-[4-[4-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]phenyl]aniline
CID 90265211
9,10-ditert-butyl-7-N,7-N-diphenyl-2-N,2-N-dipyridin-2-ylanthracene-2,7-diamine
CID 59194887

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (CID 177074307) is 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is Cc1cc(C)c(N(c2ccc(N(c3ccccn3)c3ccccn3)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
The InChIKey is HEYMHKLBSORAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4/c1-23-19-25(3)33(26(4)20-23)38(34-27(5)21-24(2)22-28(34)6)30-15-13-29(14-16-30)37(31-11-7-9-17-35-31)32-12-8-10-18-36-32/h7-22H,1-6H3.
What are the key properties of 1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine has a molecular weight of 498.67 g/mol, XLogP of 9.27, 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-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 177074307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).