N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine

C66H47N3 — CID 59893001

IUPACN,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4ccc5ccccc5c4)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H47N3/c1-3-21-56(22-4-1)68(65-27-13-19-53-16-9-11-25-63(53)65)60-42-33-51(34-43-60)49-29-38-58(39-30-49)67(62-46-37-48-15-7-8-18-55(48)47-62)59-40-31-50(32-41-59)52-35-44-61(45-36-52)69(57-23-5-2-6-24-57)66-28-14-20-54-17-10-12-26-64(54)66/h1-47H
InChIKeyHDUPZCDOCSTSNC-UHFFFAOYSA-N
MW882.12 g/mol
LogP18.89
Rot. Bonds11

About N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine

N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine (PubChem CID 59893001) has the molecular formula C66H47N3 and a molecular weight of 882.12 g/mol. Its IUPAC name is N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
PubChem CID59893001
Molecular FormulaC66H47N3
Molecular Weight882.12 g/mol
Exact Mass881.38
IUPAC NameN,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4ccc5ccccc5c4)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H47N3/c1-3-21-56(22-4-1)68(65-27-13-19-53-16-9-11-25-63(53)65)60-42-33-51(34-43-60)49-29-38-58(39-30-49)67(62-46-37-48-15-7-8-18-55(48)47-62)59-40-31-50(32-41-59)52-35-44-61(45-36-52)69(57-23-5-2-6-24-57)66-28-14-20-54-17-10-12-26-64(54)66/h1-47H
InChIKeyHDUPZCDOCSTSNC-UHFFFAOYSA-N
XLogP18.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.12
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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 158284393
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159764357
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine
CID 159759167
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006
N,3-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
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
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine (CID 59893001) is N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4ccc5ccccc5c4)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is HDUPZCDOCSTSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3/c1-3-21-56(22-4-1)68(65-27-13-19-53-16-9-11-25-63(53)65)60-42-33-51(34-43-60)49-29-38-58(39-30-49)67(62-46-37-48-15-7-8-18-55(48)47-62)59-40-31-50(32-41-59)52-35-44-61(45-36-52)69(57-23-5-2-6-24-57)66-28-14-20-54-17-10-12-26-64(54)66/h1-47H.
What are the key properties of N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine?
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 882.12 g/mol, XLogP of 18.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 59893001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).