4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline

C48H38N2 — CID 169016081

IUPAC4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)c34)cc2)cc1
InChIInChI=1S/C48H38N2/c1-35-19-27-42(28-20-35)49(40-13-5-3-6-14-40)44-31-23-37(24-32-44)46-17-9-11-39-12-10-18-47(48(39)46)38-25-33-45(34-26-38)50(41-15-7-4-8-16-41)43-29-21-36(2)22-30-43/h3-34H,1-2H3
InChIKeyJUTZQSBXGNSXHI-UHFFFAOYSA-N
MW642.85 g/mol
LogP13.73
Rot. Bonds8

About 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline

4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline (PubChem CID 169016081) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
PubChem CID169016081
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)c34)cc2)cc1
InChIInChI=1S/C48H38N2/c1-35-19-27-42(28-20-35)49(40-13-5-3-6-14-40)44-31-23-37(24-32-44)46-17-9-11-39-12-10-18-47(48(39)46)38-25-33-45(34-26-38)50(41-15-7-4-8-16-41)43-29-21-36(2)22-30-43/h3-34H,1-2H3
InChIKeyJUTZQSBXGNSXHI-UHFFFAOYSA-N
XLogP13.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline
CID 121286068
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline?
The IUPAC name of 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline (CID 169016081) is 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)c34)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline?
The InChIKey is JUTZQSBXGNSXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-35-19-27-42(28-20-35)49(40-13-5-3-6-14-40)44-31-23-37(24-32-44)46-17-9-11-39-12-10-18-47(48(39)46)38-25-33-45(34-26-38)50(41-15-7-4-8-16-41)43-29-21-36(2)22-30-43/h3-34H,1-2H3.
What are the key properties of 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline?
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline has a molecular weight of 642.85 g/mol, XLogP of 13.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 169016081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).