N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C48H35N — CID 174254069

IUPACN,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-5-18-36(19-6-1)42-26-13-15-28-45(42)46-29-16-14-27-43(46)38-32-34-41(35-33-38)49(40-24-11-4-12-25-40)47-31-17-30-44(37-20-7-2-8-21-37)48(47)39-22-9-3-10-23-39/h1-35H
InChIKeyROTJGRPMDAMQJZ-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.49
Rot. Bonds8

About N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 174254069) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID174254069
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC NameN,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-5-18-36(19-6-1)42-26-13-15-28-45(42)46-29-16-14-27-43(46)38-32-34-41(35-33-38)49(40-24-11-4-12-25-40)47-31-17-30-44(37-20-7-2-8-21-37)48(47)39-22-9-3-10-23-39/h1-35H
InChIKeyROTJGRPMDAMQJZ-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788803
2,3,5-triphenyl-N-(3-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254180
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788768
5-chloro-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 164738275

Frequently Asked Questions

What is the IUPAC name of N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 174254069) is N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is ROTJGRPMDAMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-5-18-36(19-6-1)42-26-13-15-28-45(42)46-29-16-14-27-43(46)38-32-34-41(35-33-38)49(40-24-11-4-12-25-40)47-31-17-30-44(37-20-7-2-8-21-37)48(47)39-22-9-3-10-23-39/h1-35H.
What are the key properties of N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 625.82 g/mol, XLogP of 13.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 174254069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).