N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine

C66H43N7 — CID 164939243

IUPACN,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccc5cc(-c6ccc7c(ccc8ccccc87)c6)ccc5c4)cc3)n2)cc1
InChIInChI=1S/C66H43N7/c1-5-16-45(17-6-1)61-67-62(46-18-7-2-8-19-46)70-65(69-61)49-29-35-56(36-30-49)73(57-37-31-50(32-38-57)66-71-63(47-20-9-3-10-21-47)68-64(72-66)48-22-11-4-12-23-48)58-39-33-52-41-51(26-27-54(52)43-58)53-34-40-60-55(42-53)28-25-44-15-13-14-24-59(44)60/h1-43H
InChIKeyVCOMHMZTSVQYQY-UHFFFAOYSA-N
MW934.12 g/mol
LogP16.66
Rot. Bonds10

About N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine

N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine (PubChem CID 164939243) has the molecular formula C66H43N7 and a molecular weight of 934.12 g/mol. Its IUPAC name is N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
PubChem CID164939243
Molecular FormulaC66H43N7
Molecular Weight934.12 g/mol
Exact Mass933.36
IUPAC NameN,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccc5cc(-c6ccc7c(ccc8ccccc87)c6)ccc5c4)cc3)n2)cc1
InChIInChI=1S/C66H43N7/c1-5-16-45(17-6-1)61-67-62(46-18-7-2-8-19-46)70-65(69-61)49-29-35-56(36-30-49)73(57-37-31-50(32-38-57)66-71-63(47-20-9-3-10-21-47)68-64(72-66)48-22-11-4-12-23-48)58-39-33-52-41-51(26-27-54(52)43-58)53-34-40-60-55(42-53)28-25-44-15-13-14-24-59(44)60/h1-43H
InChIKeyVCOMHMZTSVQYQY-UHFFFAOYSA-N
XLogP16.66
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.12
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine?
The IUPAC name of N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine (CID 164939243) is N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine?
The canonical SMILES for N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccc5cc(-c6ccc7c(ccc8ccccc87)c6)ccc5c4)cc3)n2)cc1.
What is the InChIKey of N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine?
The InChIKey is VCOMHMZTSVQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N7/c1-5-16-45(17-6-1)61-67-62(46-18-7-2-8-19-46)70-65(69-61)49-29-35-56(36-30-49)73(57-37-31-50(32-38-57)66-71-63(47-20-9-3-10-21-47)68-64(72-66)48-22-11-4-12-23-48)58-39-33-52-41-51(26-27-54(52)43-58)53-34-40-60-55(42-53)28-25-44-15-13-14-24-59(44)60/h1-43H.
What are the key properties of N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine?
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine has a molecular weight of 934.12 g/mol, XLogP of 16.66, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine is sourced from PubChem (CID 164939243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).