2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine

C40H30N2 — CID 166917050

IUPAC2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)cc2)cc1
InChIInChI=1S/C40H30N2/c1-5-13-31(14-6-1)32-21-25-38(26-22-32)42(37-19-11-4-12-20-37)40-28-24-33-29-39(27-23-34(33)30-40)41(35-15-7-2-8-16-35)36-17-9-3-10-18-36/h1-30H
InChIKeyXYKIBMQILYJHKC-UHFFFAOYSA-N
MW538.69 g/mol
LogP11.45
Rot. Bonds7

About 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine

2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine (PubChem CID 166917050) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
PubChem CID166917050
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)cc2)cc1
InChIInChI=1S/C40H30N2/c1-5-13-31(14-6-1)32-21-25-38(26-22-32)42(37-19-11-4-12-20-37)40-28-24-33-29-39(27-23-34(33)30-40)41(35-15-7-2-8-16-35)36-17-9-3-10-18-36/h1-30H
InChIKeyXYKIBMQILYJHKC-UHFFFAOYSA-N
XLogP11.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)pyrene-2,7-diamine
CID 59260457
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine?
The IUPAC name of 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine (CID 166917050) is 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine.
What is the SMILES notation for 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine?
The canonical SMILES for 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)cc2)cc1.
What is the InChIKey of 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine?
The InChIKey is XYKIBMQILYJHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-5-13-31(14-6-1)32-21-25-38(26-22-32)42(37-19-11-4-12-20-37)40-28-24-33-29-39(27-23-34(33)30-40)41(35-15-7-2-8-16-35)36-17-9-3-10-18-36/h1-30H.
What are the key properties of 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine?
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine has a molecular weight of 538.69 g/mol, XLogP of 11.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine is sourced from PubChem (CID 166917050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).