N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C58H40N4 — CID 59501492

IUPACN-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C58H40N4/c1-3-17-45(18-4-1)57-59-60-58(62(57)49-21-5-2-6-22-49)46-29-27-43(28-30-46)53-23-11-13-25-55(53)56-26-14-12-24-54(56)44-33-35-50(36-34-44)61(51-37-31-41-15-7-9-19-47(41)39-51)52-38-32-42-16-8-10-20-48(42)40-52/h1-40H
InChIKeyNRMICDNFPDOTLW-UHFFFAOYSA-N
MW792.99 g/mol
LogP15.38
Rot. Bonds9

About N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 59501492) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID59501492
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC NameN-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C58H40N4/c1-3-17-45(18-4-1)57-59-60-58(62(57)49-21-5-2-6-22-49)46-29-27-43(28-30-46)53-23-11-13-25-55(53)56-26-14-12-24-54(56)44-33-35-50(36-34-44)61(51-37-31-41-15-7-9-19-47(41)39-51)52-38-32-42-16-8-10-20-48(42)40-52/h1-40H
InChIKeyNRMICDNFPDOTLW-UHFFFAOYSA-N
XLogP15.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59501483
N,N-diphenyl-4-[2-[2-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]aniline
CID 59501541
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
4-[4-[4,5-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-1,2,4-triazol-3-yl]phenyl]-N,N-diphenylaniline
CID 102173771
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 59501492) is N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is NRMICDNFPDOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-3-17-45(18-4-1)57-59-60-58(62(57)49-21-5-2-6-22-49)46-29-27-43(28-30-46)53-23-11-13-25-55(53)56-26-14-12-24-54(56)44-33-35-50(36-34-44)61(51-37-31-41-15-7-9-19-47(41)39-51)52-38-32-42-16-8-10-20-48(42)40-52/h1-40H.
What are the key properties of N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 792.99 g/mol, XLogP of 15.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 59501492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).