N,N-diphenyl-2,3,4-tripyridin-4-ylaniline

C33H24N4 — CID 175865200

IUPACN,N-diphenyl-2,3,4-tripyridin-4-ylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)cc1
InChIInChI=1S/C33H24N4/c1-3-7-28(8-4-1)37(29-9-5-2-6-10-29)31-12-11-30(25-13-19-34-20-14-25)32(26-15-21-35-22-16-26)33(31)27-17-23-36-24-18-27/h1-24H
InChIKeyWMRYTJSYXQWWFC-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.34
Rot. Bonds6

About N,N-diphenyl-2,3,4-tripyridin-4-ylaniline

N,N-diphenyl-2,3,4-tripyridin-4-ylaniline (PubChem CID 175865200) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N,N-diphenyl-2,3,4-tripyridin-4-ylaniline.

Molecular Properties

Compound NameN,N-diphenyl-2,3,4-tripyridin-4-ylaniline
PubChem CID175865200
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC NameN,N-diphenyl-2,3,4-tripyridin-4-ylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)cc1
InChIInChI=1S/C33H24N4/c1-3-7-28(8-4-1)37(29-9-5-2-6-10-29)31-12-11-30(25-13-19-34-20-14-25)32(26-15-21-35-22-16-26)33(31)27-17-23-36-24-18-27/h1-24H
InChIKeyWMRYTJSYXQWWFC-UHFFFAOYSA-N
XLogP8.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine
CID 67826937
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 159269643
N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline
CID 121286068
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
2-phenyl-3,6-dipyridin-4-ylbenzonitrile
CID 58954286
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine
CID 88853115
2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 155431854
N-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-N-phenylpyrimidin-5-amine
CID 118312558
N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788803

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2,3,4-tripyridin-4-ylaniline?
The IUPAC name of N,N-diphenyl-2,3,4-tripyridin-4-ylaniline (CID 175865200) is N,N-diphenyl-2,3,4-tripyridin-4-ylaniline.
What is the SMILES notation for N,N-diphenyl-2,3,4-tripyridin-4-ylaniline?
The canonical SMILES for N,N-diphenyl-2,3,4-tripyridin-4-ylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)cc1.
What is the InChIKey of N,N-diphenyl-2,3,4-tripyridin-4-ylaniline?
The InChIKey is WMRYTJSYXQWWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-3-7-28(8-4-1)37(29-9-5-2-6-10-29)31-12-11-30(25-13-19-34-20-14-25)32(26-15-21-35-22-16-26)33(31)27-17-23-36-24-18-27/h1-24H.
What are the key properties of N,N-diphenyl-2,3,4-tripyridin-4-ylaniline?
N,N-diphenyl-2,3,4-tripyridin-4-ylaniline has a molecular weight of 476.58 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2,3,4-tripyridin-4-ylaniline is sourced from PubChem (CID 175865200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).