N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine

C78H53N3 — CID 59690812

IUPACN-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4c3)cc2)c2ccc(-c3ccc4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4c3)cc2)cc1
InChIInChI=1S/C78H53N3/c1-4-20-64(21-5-1)79(67-42-36-54(37-43-67)56-32-34-60-50-69(46-40-58(60)48-56)80(65-22-6-2-7-23-65)77-52-62-18-10-12-26-71(62)73-28-14-16-30-75(73)77)68-44-38-55(39-45-68)57-33-35-61-51-70(47-41-59(61)49-57)81(66-24-8-3-9-25-66)78-53-63-19-11-13-27-72(63)74-29-15-17-31-76(74)78/h1-53H
InChIKeyIZEBQFOGEBVFDD-UHFFFAOYSA-N
MW1032.30 g/mol
LogP22.35
Rot. Bonds11

About N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine

N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine (PubChem CID 59690812) has the molecular formula C78H53N3 and a molecular weight of 1032.30 g/mol. Its IUPAC name is N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
PubChem CID59690812
Molecular FormulaC78H53N3
Molecular Weight1032.30 g/mol
Exact Mass1031.42
IUPAC NameN-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4c3)cc2)c2ccc(-c3ccc4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4c3)cc2)cc1
InChIInChI=1S/C78H53N3/c1-4-20-64(21-5-1)79(67-42-36-54(37-43-67)56-32-34-60-50-69(46-40-58(60)48-56)80(65-22-6-2-7-23-65)77-52-62-18-10-12-26-71(62)73-28-14-16-30-75(73)77)68-44-38-55(39-45-68)57-33-35-61-51-70(47-41-59(61)49-57)81(66-24-8-3-9-25-66)78-53-63-19-11-13-27-72(63)74-29-15-17-31-76(74)78/h1-53H
InChIKeyIZEBQFOGEBVFDD-UHFFFAOYSA-N
XLogP22.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.30
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 169064123
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyren-4-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]aniline
CID 158650281

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine?
The IUPAC name of N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine (CID 59690812) is N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine is c1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4c3)cc2)c2ccc(-c3ccc4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4c3)cc2)cc1.
What is the InChIKey of N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine?
The InChIKey is IZEBQFOGEBVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53N3/c1-4-20-64(21-5-1)79(67-42-36-54(37-43-67)56-32-34-60-50-69(46-40-58(60)48-56)80(65-22-6-2-7-23-65)77-52-62-18-10-12-26-71(62)73-28-14-16-30-75(73)77)68-44-38-55(39-45-68)57-33-35-61-51-70(47-41-59(61)49-57)81(66-24-8-3-9-25-66)78-53-63-19-11-13-27-72(63)74-29-15-17-31-76(74)78/h1-53H.
What are the key properties of N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine?
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine has a molecular weight of 1032.30 g/mol, XLogP of 22.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 59690812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).