N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine

C60H41N — CID 123325519

IUPACN-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C60H41N/c1-2-18-49(19-3-1)61(58-27-13-17-45-15-5-7-21-53(45)58)50-40-38-48(39-41-50)60-56-24-10-8-22-54(56)59(55-23-9-11-25-57(55)60)47-36-32-43(33-37-47)29-28-42-30-34-46(35-31-42)52-26-12-16-44-14-4-6-20-51(44)52/h1-41H
InChIKeySPYCVWOLZXDNHP-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.94
Rot. Bonds8

About N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 123325519) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID123325519
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C60H41N/c1-2-18-49(19-3-1)61(58-27-13-17-45-15-5-7-21-53(45)58)50-40-38-48(39-41-50)60-56-24-10-8-22-54(56)59(55-23-9-11-25-57(55)60)47-36-32-43(33-37-47)29-28-42-30-34-46(35-31-42)52-26-12-16-44-14-4-6-20-51(44)52/h1-41H
InChIKeySPYCVWOLZXDNHP-UHFFFAOYSA-N
XLogP16.94
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 ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
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
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracene
CID 140834646
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
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-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 123325519) is N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine is C(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is SPYCVWOLZXDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-2-18-49(19-3-1)61(58-27-13-17-45-15-5-7-21-53(45)58)50-40-38-48(39-41-50)60-56-24-10-8-22-54(56)59(55-23-9-11-25-57(55)60)47-36-32-43(33-37-47)29-28-42-30-34-46(35-31-42)52-26-12-16-44-14-4-6-20-51(44)52/h1-41H.
What are the key properties of N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 776.00 g/mol, XLogP of 16.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 123325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).