3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

C60H48N2 — CID 121322814

IUPAC3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCc1cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2C)ccc1-c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2C)cc1C
InChIInChI=1S/C60H48N2/c1-41-13-5-11-19-59(41)61(53-29-25-47(26-30-53)51-23-21-45-15-7-9-17-49(45)39-51)55-33-35-57(43(3)37-55)58-36-34-56(38-44(58)4)62(60-20-12-6-14-42(60)2)54-31-27-48(28-32-54)52-24-22-46-16-8-10-18-50(46)40-52/h5-40H,1-4H3
InChIKeyHMBFSUGLCKUYBP-UHFFFAOYSA-N
MW797.06 g/mol
LogP17.17
Rot. Bonds9

About 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 121322814) has the molecular formula C60H48N2 and a molecular weight of 797.06 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID121322814
Molecular FormulaC60H48N2
Molecular Weight797.06 g/mol
Exact Mass796.38
IUPAC Name3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCc1cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2C)ccc1-c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2C)cc1C
InChIInChI=1S/C60H48N2/c1-41-13-5-11-19-59(41)61(53-29-25-47(26-30-53)51-23-21-45-15-7-9-17-49(45)39-51)55-33-35-57(43(3)37-55)58-36-34-56(38-44(58)4)62(60-20-12-6-14-42(60)2)54-31-27-48(28-32-54)52-24-22-46-16-8-10-18-50(46)40-52/h5-40H,1-4H3
InChIKeyHMBFSUGLCKUYBP-UHFFFAOYSA-N
XLogP17.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.06
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[2-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline
CID 20562857
3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-3-phenylanilino)phenyl]-N-(2-methylphenyl)-N-(3-phenylphenyl)aniline
CID 121322775
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-[3-methyl-4-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-5-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 58121806
N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 142481987
17-(4-tert-butylphenyl)-N-(2-methylphenyl)-N-(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032698
N-(2-methylphenyl)-N-(2-methyl-4-phenylphenyl)-16-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033530
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine
CID 158922425
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 121322814) is 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is Cc1cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2C)ccc1-c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2C)cc1C.
What is the InChIKey of 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is HMBFSUGLCKUYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2/c1-41-13-5-11-19-59(41)61(53-29-25-47(26-30-53)51-23-21-45-15-7-9-17-49(45)39-51)55-33-35-57(43(3)37-55)58-36-34-56(38-44(58)4)62(60-20-12-6-14-42(60)2)54-31-27-48(28-32-54)52-24-22-46-16-8-10-18-50(46)40-52/h5-40H,1-4H3.
What are the key properties of 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 797.06 g/mol, XLogP of 17.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 121322814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).