2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane

C92H72N2 — CID 145096303

IUPAC2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
SMILESCC.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C48H35N.C42H31N.C2H6/c1-5-17-36(18-6-1)40-25-15-27-45(34-40)49(46-28-16-26-41(35-46)37-19-7-2-8-20-37)48-30-14-13-29-47(48)44-32-42(38-21-9-3-10-22-38)31-43(33-44)39-23-11-4-12-24-39;1-5-16-32(17-6-1)36-24-15-25-39(29-36)43(42-27-14-13-26-41(42)35-22-11-4-12-23-35)40-30-37(33-18-7-2-8-19-33)28-38(31-40)34-20-9-3-10-21-34;1-2/h1-35H;1-31H;1-2H3
InChIKeyXKBOEEWGGINCID-UHFFFAOYSA-N
MW1205.60 g/mol
LogP26.34
Rot. Bonds15

About 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane

2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane (PubChem CID 145096303) has the molecular formula C92H72N2 and a molecular weight of 1205.60 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
PubChem CID145096303
Molecular FormulaC92H72N2
Molecular Weight1205.60 g/mol
Exact Mass1204.57
IUPAC Name2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
SMILESCC.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C48H35N.C42H31N.C2H6/c1-5-17-36(18-6-1)40-25-15-27-45(34-40)49(46-28-16-26-41(35-46)37-19-7-2-8-20-37)48-30-14-13-29-47(48)44-32-42(38-21-9-3-10-22-38)31-43(33-44)39-23-11-4-12-24-39;1-5-16-32(17-6-1)36-24-15-25-39(29-36)43(42-27-14-13-26-41(42)35-22-11-4-12-23-35)40-30-37(33-18-7-2-8-19-33)28-38(31-40)34-20-9-3-10-21-34;1-2/h1-35H;1-31H;1-2H3
InChIKeyXKBOEEWGGINCID-UHFFFAOYSA-N
XLogP26.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.60
LogP ≤ 526.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane?
The IUPAC name of 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane (CID 145096303) is 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane?
The canonical SMILES for 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane is CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane?
The InChIKey is XKBOEEWGGINCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N.C42H31N.C2H6/c1-5-17-36(18-6-1)40-25-15-27-45(34-40)49(46-28-16-26-41(35-46)37-19-7-2-8-20-37)48-30-14-13-29-47(48)44-32-42(38-21-9-3-10-22-38)31-43(33-44)39-23-11-4-12-24-39;1-5-16-32(17-6-1)36-24-15-25-39(29-36)43(42-27-14-13-26-41(42)35-22-11-4-12-23-35)40-30-37(33-18-7-2-8-19-33)28-38(31-40)34-20-9-3-10-21-34;1-2/h1-35H;1-31H;1-2H3.
What are the key properties of 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane?
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane has a molecular weight of 1205.60 g/mol, XLogP of 26.34, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane is sourced from PubChem (CID 145096303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).