N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine

C78H54N2 — CID 163884704

IUPACN-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
SMILESC(=Cc1ccc(N(c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccc(/C=C\c7ccccc7)cc6)c6cccc7ccccc67)cc5)cc4c4ccccc34)cc2)c2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C78H54N2/c1-3-17-55(18-4-1)33-35-57-37-45-63(46-38-57)79(77-31-15-23-59-21-7-9-25-67(59)77)65-49-41-61(42-50-65)73-53-75-72-30-14-12-28-70(72)74(54-76(75)71-29-13-11-27-69(71)73)62-43-51-66(52-44-62)80(78-32-16-24-60-22-8-10-26-68(60)78)64-47-39-58(40-48-64)36-34-56-19-5-2-6-20-56/h1-54H/b35-33-,36-34?
InChIKeyPWINSVUUCQVDGH-VGFHZNBSSA-N
MW1019.30 g/mol
LogP22.07
Rot. Bonds12

About N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine

N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine (PubChem CID 163884704) has the molecular formula C78H54N2 and a molecular weight of 1019.30 g/mol. Its IUPAC name is N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
PubChem CID163884704
Molecular FormulaC78H54N2
Molecular Weight1019.30 g/mol
Exact Mass1018.43
IUPAC NameN-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
SMILESC(=Cc1ccc(N(c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccc(/C=C\c7ccccc7)cc6)c6cccc7ccccc67)cc5)cc4c4ccccc34)cc2)c2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C78H54N2/c1-3-17-55(18-4-1)33-35-57-37-45-63(46-38-57)79(77-31-15-23-59-21-7-9-25-67(59)77)65-49-41-61(42-50-65)73-53-75-72-30-14-12-28-70(72)74(54-76(75)71-29-13-11-27-69(71)73)62-43-51-66(52-44-62)80(78-32-16-24-60-22-8-10-26-68(60)78)64-47-39-58(40-48-64)36-34-56-19-5-2-6-20-56/h1-54H/b35-33-,36-34?
InChIKeyPWINSVUUCQVDGH-VGFHZNBSSA-N
XLogP22.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.30
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N-[4-[12-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]chrysen-6-yl]phenyl]naphthalen-1-amine
CID 59987803
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 76601630
N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 59575121
N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 123325519
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-[4-[(E)-2-[10-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438529
N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89067967
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
CID 89068089
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592

Frequently Asked Questions

What is the IUPAC name of N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine (CID 163884704) is N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine is C(=Cc1ccc(N(c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccc(/C=C\c7ccccc7)cc6)c6cccc7ccccc67)cc5)cc4c4ccccc34)cc2)c2cccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
The InChIKey is PWINSVUUCQVDGH-VGFHZNBSSA-N. The full InChI is InChI=1S/C78H54N2/c1-3-17-55(18-4-1)33-35-57-37-45-63(46-38-57)79(77-31-15-23-59-21-7-9-25-67(59)77)65-49-41-61(42-50-65)73-53-75-72-30-14-12-28-70(72)74(54-76(75)71-29-13-11-27-69(71)73)62-43-51-66(52-44-62)80(78-32-16-24-60-22-8-10-26-68(60)78)64-47-39-58(40-48-64)36-34-56-19-5-2-6-20-56/h1-54H/b35-33-,36-34?.
What are the key properties of N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine has a molecular weight of 1019.30 g/mol, XLogP of 22.07, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 163884704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).