4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C66H56N2 — CID 121322879

IUPAC4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1ccccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cc(-c2cc(C)c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3C)c(C)c2)cc1C
InChIInChI=1S/C66H56N2/c1-45-17-13-15-23-63(45)67(61-37-33-57(34-38-61)55-29-25-53(26-30-55)51-19-9-7-10-20-51)65-47(3)41-59(42-48(65)4)60-43-49(5)66(50(6)44-60)68(64-24-16-14-18-46(64)2)62-39-35-58(36-40-62)56-31-27-54(28-32-56)52-21-11-8-12-22-52/h7-44H,1-6H3
InChIKeyDHMAVEZEKXUHOC-UHFFFAOYSA-N
MW877.19 g/mol
LogP18.81
Rot. Bonds11

About 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 121322879) has the molecular formula C66H56N2 and a molecular weight of 877.19 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID121322879
Molecular FormulaC66H56N2
Molecular Weight877.19 g/mol
Exact Mass876.44
IUPAC Name4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1ccccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cc(-c2cc(C)c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3C)c(C)c2)cc1C
InChIInChI=1S/C66H56N2/c1-45-17-13-15-23-63(45)67(61-37-33-57(34-38-61)55-29-25-53(26-30-55)51-19-9-7-10-20-51)65-47(3)41-59(42-48(65)4)60-43-49(5)66(50(6)44-60)68(64-24-16-14-18-46(64)2)62-39-35-58(36-40-62)56-31-27-54(28-32-56)52-21-11-8-12-22-52/h7-44H,1-6H3
InChIKeyDHMAVEZEKXUHOC-UHFFFAOYSA-N
XLogP18.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.19
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-methylphenyl)anilino]-3,5-dimethylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-dimethyl-N-(2-methylphenyl)aniline
CID 121322897
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
6-N,16-N-bis(2-methylphenyl)-6-N,16-N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031866
N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285801
N-[4-[3,5-bis[4-(N-(2-ethylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 20688280
4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
CID 121322882
5-methyl-1-N,3-N-bis(4-phenylphenyl)-1-N,3-N-bis(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 118415243
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118193667
2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 59469991

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 121322879) is 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1ccccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cc(-c2cc(C)c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3C)c(C)c2)cc1C.
What is the InChIKey of 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is DHMAVEZEKXUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56N2/c1-45-17-13-15-23-63(45)67(61-37-33-57(34-38-61)55-29-25-53(26-30-55)51-19-9-7-10-20-51)65-47(3)41-59(42-48(65)4)60-43-49(5)66(50(6)44-60)68(64-24-16-14-18-46(64)2)62-39-35-58(36-40-62)56-31-27-54(28-32-56)52-21-11-8-12-22-52/h7-44H,1-6H3.
What are the key properties of 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 877.19 g/mol, XLogP of 18.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 121322879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).