2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline

C72H56N2 — CID 121323094

IUPAC2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(C)cccc3-c3cccc4ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1c(C)cccc1-c1cccc2ccccc12
InChIInChI=1S/C72H56N2/c1-49-19-15-33-67(65-31-17-27-57-25-11-13-29-63(57)65)71(49)73(61-41-35-55(36-42-61)53-21-7-5-8-22-53)69-45-39-59(47-51(69)3)60-40-46-70(52(4)48-60)74(62-43-37-56(38-44-62)54-23-9-6-10-24-54)72-50(2)20-16-34-68(72)66-32-18-28-58-26-12-14-30-64(58)66/h5-48H,1-4H3
InChIKeyVTFKDCAMAJCDSJ-UHFFFAOYSA-N
MW949.25 g/mol
LogP20.50
Rot. Bonds11

About 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline

2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 121323094) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
PubChem CID121323094
Molecular FormulaC72H56N2
Molecular Weight949.25 g/mol
Exact Mass948.44
IUPAC Name2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(C)cccc3-c3cccc4ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1c(C)cccc1-c1cccc2ccccc12
InChIInChI=1S/C72H56N2/c1-49-19-15-33-67(65-31-17-27-57-25-11-13-29-63(57)65)71(49)73(61-41-35-55(36-42-61)53-21-7-5-8-22-53)69-45-39-59(47-51(69)3)60-40-46-70(52(4)48-60)74(62-43-37-56(38-44-62)54-23-9-6-10-24-54)72-50(2)20-16-34-68(72)66-32-18-28-58-26-12-14-30-64(58)66/h5-48H,1-4H3
InChIKeyVTFKDCAMAJCDSJ-UHFFFAOYSA-N
XLogP20.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.25
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-methyl-4-[3-methyl-4-[N-(2-methyl-6-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121323106
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-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 59469991
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372
N-[4-[4-(4-dibenzofuran-4-yl-N-[2-methyl-6-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-6-(4-phenylphenyl)aniline
CID 121323023
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
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
N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119854
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 121323318
N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine
CID 121323241
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline (CID 121323094) is 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline is Cc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(C)cccc3-c3cccc4ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1c(C)cccc1-c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The InChIKey is VTFKDCAMAJCDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-49-19-15-33-67(65-31-17-27-57-25-11-13-29-63(57)65)71(49)73(61-41-35-55(36-42-61)53-21-7-5-8-22-53)69-45-39-59(47-51(69)3)60-40-46-70(52(4)48-60)74(62-43-37-56(38-44-62)54-23-9-6-10-24-54)72-50(2)20-16-34-68(72)66-32-18-28-58-26-12-14-30-64(58)66/h5-48H,1-4H3.
What are the key properties of 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 949.25 g/mol, XLogP of 20.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121323094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).