3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine

C91H80N6 — CID 90265205

IUPAC3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine
SMILESCc1ccc(N(c2cccc(C)c2)c2cccc(N(c3ccc(C)cc3)c3cccc(N(c4ccc(C)cc4)c4cccc(N(c5ccc(N(c6ccc(N(c7ccc(C)cc7)c7ccccc7C)cc6)c6c(C)cc(C)cc6C)cc5)c5ccc6ccccc6c5)c4)c3)c2)cc1
InChIInChI=1S/C91H80N6/c1-63-30-39-74(40-31-63)92(82-22-14-18-67(5)58-82)83-23-15-24-84(60-83)93(75-41-32-64(2)33-42-75)85-25-16-26-86(61-85)94(76-43-34-65(3)35-44-76)87-27-17-28-88(62-87)95(89-47-38-72-20-11-12-21-73(72)59-89)77-48-52-80(53-49-77)97(91-70(8)56-68(6)57-71(91)9)81-54-50-79(51-55-81)96(78-45-36-66(4)37-46-78)90-29-13-10-19-69(90)7/h10-62H,1-9H3
InChIKeyTZDHWLNRKFMRMO-UHFFFAOYSA-N
MW1257.68 g/mol
LogP26.43
Rot. Bonds18

About 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine

3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine (PubChem CID 90265205) has the molecular formula C91H80N6 and a molecular weight of 1257.68 g/mol. Its IUPAC name is 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine
PubChem CID90265205
Molecular FormulaC91H80N6
Molecular Weight1257.68 g/mol
Exact Mass1256.64
IUPAC Name3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine
SMILESCc1ccc(N(c2cccc(C)c2)c2cccc(N(c3ccc(C)cc3)c3cccc(N(c4ccc(C)cc4)c4cccc(N(c5ccc(N(c6ccc(N(c7ccc(C)cc7)c7ccccc7C)cc6)c6c(C)cc(C)cc6C)cc5)c5ccc6ccccc6c5)c4)c3)c2)cc1
InChIInChI=1S/C91H80N6/c1-63-30-39-74(40-31-63)92(82-22-14-18-67(5)58-82)83-23-15-24-84(60-83)93(75-41-32-64(2)33-42-75)85-25-16-26-86(61-85)94(76-43-34-65(3)35-44-76)87-27-17-28-88(62-87)95(89-47-38-72-20-11-12-21-73(72)59-89)77-48-52-80(53-49-77)97(91-70(8)56-68(6)57-71(91)9)81-54-50-79(51-55-81)96(78-45-36-66(4)37-46-78)90-29-13-10-19-69(90)7/h10-62H,1-9H3
InChIKeyTZDHWLNRKFMRMO-UHFFFAOYSA-N
XLogP26.43
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.68
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 158435448
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
CID 23393545
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
1-N,3-N-bis(2-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
CID 165110589
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine (CID 90265205) is 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine is Cc1ccc(N(c2cccc(C)c2)c2cccc(N(c3ccc(C)cc3)c3cccc(N(c4ccc(C)cc4)c4cccc(N(c5ccc(N(c6ccc(N(c7ccc(C)cc7)c7ccccc7C)cc6)c6c(C)cc(C)cc6C)cc5)c5ccc6ccccc6c5)c4)c3)c2)cc1.
What is the InChIKey of 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine?
The InChIKey is TZDHWLNRKFMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H80N6/c1-63-30-39-74(40-31-63)92(82-22-14-18-67(5)58-82)83-23-15-24-84(60-83)93(75-41-32-64(2)33-42-75)85-25-16-26-86(61-85)94(76-43-34-65(3)35-44-76)87-27-17-28-88(62-87)95(89-47-38-72-20-11-12-21-73(72)59-89)77-48-52-80(53-49-77)97(91-70(8)56-68(6)57-71(91)9)81-54-50-79(51-55-81)96(78-45-36-66(4)37-46-78)90-29-13-10-19-69(90)7/h10-62H,1-9H3.
What are the key properties of 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine?
3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine has a molecular weight of 1257.68 g/mol, XLogP of 26.43, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 90265205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).