N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine

C35H24N4 — CID 164822371

IUPACN,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
SMILESc1cc(-c2cc3ccccc3cn2)cc(N(c2ccncc2)c2cccc(-c3cc4ccccc4cn3)c2)c1
InChIInChI=1S/C35H24N4/c1-3-9-29-23-37-34(21-25(29)7-1)27-11-5-13-32(19-27)39(31-15-17-36-18-16-31)33-14-6-12-28(20-33)35-22-26-8-2-4-10-30(26)24-38-35/h1-24H
InChIKeyHNSVWBIDNAHNQY-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.98
Rot. Bonds5

About N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine

N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine (PubChem CID 164822371) has the molecular formula C35H24N4 and a molecular weight of 500.61 g/mol. Its IUPAC name is N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
PubChem CID164822371
Molecular FormulaC35H24N4
Molecular Weight500.61 g/mol
Exact Mass500.20
IUPAC NameN,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
SMILESc1cc(-c2cc3ccccc3cn2)cc(N(c2ccncc2)c2cccc(-c3cc4ccccc4cn3)c2)c1
InChIInChI=1S/C35H24N4/c1-3-9-29-23-37-34(21-25(29)7-1)27-11-5-13-32(19-27)39(31-15-17-36-18-16-31)33-14-6-12-28(20-33)35-22-26-8-2-4-10-30(26)24-38-35/h1-24H
InChIKeyHNSVWBIDNAHNQY-UHFFFAOYSA-N
XLogP8.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline
CID 129133243
3-(4a,8a-dihydroisoquinolin-3-yl)-N-(3-isoquinolin-3-ylphenyl)-N-phenylaniline
CID 140675394
6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine
CID 171463450
N-naphthalen-2-yl-6-[2-[4-(N-naphthalen-2-ylanilino)phenyl]-3,4,5,6-tetraphenylphenyl]-N-phenylpyridin-3-amine
CID 102222161
3-azulen-2-ylisoquinoline
CID 139326489
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
(3-isoquinolin-3-ylphenyl)-tripropylphosphanium
CID 59782045
N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine
CID 176588568
N-phenyl-3-pyrimidin-2-yl-N-(3-pyrimidin-2-ylphenyl)aniline
CID 157447989
3-[3-[4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-[3-phenyl-5-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786256
3-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 140786223
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine?
The IUPAC name of N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine (CID 164822371) is N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine.
What is the SMILES notation for N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine?
The canonical SMILES for N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine is c1cc(-c2cc3ccccc3cn2)cc(N(c2ccncc2)c2cccc(-c3cc4ccccc4cn3)c2)c1.
What is the InChIKey of N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine?
The InChIKey is HNSVWBIDNAHNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4/c1-3-9-29-23-37-34(21-25(29)7-1)27-11-5-13-32(19-27)39(31-15-17-36-18-16-31)33-14-6-12-28(20-33)35-22-26-8-2-4-10-30(26)24-38-35/h1-24H.
What are the key properties of N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine?
N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine has a molecular weight of 500.61 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 164822371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).