N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine

C52H35N — CID 59308327

IUPACN-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C52H35N/c1-5-18-37(19-6-1)47-35-48(38-20-7-2-8-21-38)51-46-32-31-43(53(41-25-11-4-12-26-41)42-30-29-36-17-13-14-24-40(36)33-42)34-49(46)44-27-15-16-28-45(44)52(51)50(47)39-22-9-3-10-23-39/h1-35H
InChIKeyWFJQLUKOYWGYHA-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine

N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine (PubChem CID 59308327) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
PubChem CID59308327
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C52H35N/c1-5-18-37(19-6-1)47-35-48(38-20-7-2-8-21-38)51-46-32-31-43(53(41-25-11-4-12-26-41)42-30-29-36-17-13-14-24-40(36)33-42)34-49(46)44-27-15-16-28-45(44)52(51)50(47)39-22-9-3-10-23-39/h1-35H
InChIKeyWFJQLUKOYWGYHA-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564
4-(7-naphthalen-1-yl-3,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-2-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 161212019
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308408
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine (CID 59308327) is N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine?
The InChIKey is WFJQLUKOYWGYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-5-18-37(19-6-1)47-35-48(38-20-7-2-8-21-38)51-46-32-31-43(53(41-25-11-4-12-26-41)42-30-29-36-17-13-14-24-40(36)33-42)34-49(46)44-27-15-16-28-45(44)52(51)50(47)39-22-9-3-10-23-39/h1-35H.
What are the key properties of N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine?
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine is sourced from PubChem (CID 59308327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).