N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline

C63H58N2 — CID 155208191

IUPACN-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(N(c2ccc(C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(C(c4ccccc4)c4ccc(C)cc4C)c(C)c3)cc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C63H58N2/c1-43-23-33-60(48(6)37-43)63(50-17-11-8-12-18-50)61-34-28-53(42-49(61)7)62(51-24-29-56(30-25-51)64(54-19-13-9-14-20-54)55-21-15-10-16-22-55)52-26-31-57(32-27-52)65(58-38-44(2)35-45(3)39-58)59-40-46(4)36-47(5)41-59/h8-42,62-63H,1-7H3
InChIKeyBNRLRUZLCIYYRT-UHFFFAOYSA-N
MW843.17 g/mol
LogP17.15
Rot. Bonds12

About N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline

N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline (PubChem CID 155208191) has the molecular formula C63H58N2 and a molecular weight of 843.17 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline
PubChem CID155208191
Molecular FormulaC63H58N2
Molecular Weight843.17 g/mol
Exact Mass842.46
IUPAC NameN-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(N(c2ccc(C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(C(c4ccccc4)c4ccc(C)cc4C)c(C)c3)cc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C63H58N2/c1-43-23-33-60(48(6)37-43)63(50-17-11-8-12-18-50)61-34-28-53(42-49(61)7)62(51-24-29-56(30-25-51)64(54-19-13-9-14-20-54)55-21-15-10-16-22-55)52-26-31-57(32-27-52)65(58-38-44(2)35-45(3)39-58)59-40-46(4)36-47(5)41-59/h8-42,62-63H,1-7H3
InChIKeyBNRLRUZLCIYYRT-UHFFFAOYSA-N
XLogP17.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.17
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
CID 54025745
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline
CID 59630257
3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 54172091
4-[bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 91746104
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline
CID 70996934

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline (CID 155208191) is N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline is Cc1cc(C)cc(N(c2ccc(C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(C(c4ccccc4)c4ccc(C)cc4C)c(C)c3)cc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline?
The InChIKey is BNRLRUZLCIYYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H58N2/c1-43-23-33-60(48(6)37-43)63(50-17-11-8-12-18-50)61-34-28-53(42-49(61)7)62(51-24-29-56(30-25-51)64(54-19-13-9-14-20-54)55-21-15-10-16-22-55)52-26-31-57(32-27-52)65(58-38-44(2)35-45(3)39-58)59-40-46(4)36-47(5)41-59/h8-42,62-63H,1-7H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline?
N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline has a molecular weight of 843.17 g/mol, XLogP of 17.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline is sourced from PubChem (CID 155208191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).