N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine

C42H27N7 — CID 155317863

IUPACN-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
SMILESc1cc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2nc3ccccc3n2)c1
InChIInChI=1S/C42H27N7/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)38-27-31(24-25-37(35)38)47(28-20-22-29(23-21-28)48-43-39-16-5-6-17-40(39)44-48)30-10-9-11-32(26-30)49-45-41-18-7-8-19-42(41)46-49/h1-27H
InChIKeyMHCGZUVQZKWLGV-UHFFFAOYSA-N
MW629.73 g/mol
LogP10.08
Rot. Bonds5

About N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine

N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine (PubChem CID 155317863) has the molecular formula C42H27N7 and a molecular weight of 629.73 g/mol. Its IUPAC name is N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
PubChem CID155317863
Molecular FormulaC42H27N7
Molecular Weight629.73 g/mol
Exact Mass629.23
IUPAC NameN-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
SMILESc1cc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2nc3ccccc3n2)c1
InChIInChI=1S/C42H27N7/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)38-27-31(24-25-37(35)38)47(28-20-22-29(23-21-28)48-43-39-16-5-6-17-40(39)44-48)30-10-9-11-32(26-30)49-45-41-18-7-8-19-42(41)46-49/h1-27H
InChIKeyMHCGZUVQZKWLGV-UHFFFAOYSA-N
XLogP10.08
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.73
LogP ≤ 510.08
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

3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768912
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
CID 153395124
N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768909
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 164740317
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
CID 155316676
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 155317824

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine?
The IUPAC name of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine (CID 155317863) is N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine?
The canonical SMILES for N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine is c1cc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2nc3ccccc3n2)c1.
What is the InChIKey of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine?
The InChIKey is MHCGZUVQZKWLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)38-27-31(24-25-37(35)38)47(28-20-22-29(23-21-28)48-43-39-16-5-6-17-40(39)44-48)30-10-9-11-32(26-30)49-45-41-18-7-8-19-42(41)46-49/h1-27H.
What are the key properties of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine?
N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine has a molecular weight of 629.73 g/mol, XLogP of 10.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 155317863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).