N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine

C60H41N — CID 166589657

IUPACN-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5cccc(-c6ccccc6)c45)cc3)c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cc2)cc1
InChIInChI=1S/C60H41N/c1-4-13-42(14-5-1)44-27-32-53(33-28-44)61(55-36-31-51-40-50(25-26-52(51)41-55)49-24-23-43-15-10-11-20-48(43)39-49)54-34-29-47(30-35-54)58-38-37-56(45-16-6-2-7-17-45)59-22-12-21-57(60(58)59)46-18-8-3-9-19-46/h1-41H
InChIKeyBJWDTUXLSFEOFS-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 166589657) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID166589657
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5cccc(-c6ccccc6)c45)cc3)c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cc2)cc1
InChIInChI=1S/C60H41N/c1-4-13-42(14-5-1)44-27-32-53(33-28-44)61(55-36-31-51-40-50(25-26-52(51)41-55)49-24-23-43-15-10-11-20-48(43)39-49)54-34-29-47(30-35-54)58-38-37-56(45-16-6-2-7-17-45)59-22-12-21-57(60(58)59)46-18-8-3-9-19-46/h1-41H
InChIKeyBJWDTUXLSFEOFS-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;N-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157113671
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589706
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(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-decaen-6-amine
CID 166032157
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine (CID 166589657) is N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5cccc(-c6ccccc6)c45)cc3)c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is BJWDTUXLSFEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-4-13-42(14-5-1)44-27-32-53(33-28-44)61(55-36-31-51-40-50(25-26-52(51)41-55)49-24-23-43-15-10-11-20-48(43)39-49)54-34-29-47(30-35-54)58-38-37-56(45-16-6-2-7-17-45)59-22-12-21-57(60(58)59)46-18-8-3-9-19-46/h1-41H.
What are the key properties of N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166589657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).