N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine

C53H34N4O — CID 167424318

IUPACN-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2nnc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc4oc5ccc6ccccc6c5c34)nc2-c2ccccc2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-38(17-5-1)51-52(39-18-6-2-7-19-39)55-56-53(54-51)46-33-41(34-48-50(46)49-45-23-13-12-15-37(45)27-31-47(49)58-48)36-24-28-43(29-25-36)57(42-21-8-3-9-22-42)44-30-26-35-14-10-11-20-40(35)32-44/h1-34H
InChIKeyVWQHHQXMKHNCJQ-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.22
Rot. Bonds7

About N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 167424318) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID167424318
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC NameN-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2nnc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc4oc5ccc6ccccc6c5c34)nc2-c2ccccc2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-38(17-5-1)51-52(39-18-6-2-7-19-39)55-56-53(54-51)46-33-41(34-48-50(46)49-45-23-13-12-15-37(45)27-31-47(49)58-48)36-24-28-43(29-25-36)57(42-21-8-3-9-22-42)44-30-26-35-14-10-11-20-40(35)32-44/h1-34H
InChIKeyVWQHHQXMKHNCJQ-UHFFFAOYSA-N
XLogP14.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104
11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675458
2-(9-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130834
11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675685
N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 167143510
2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 177131008
N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 167086422
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine
CID 170253242
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 167424318) is N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2nnc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc4oc5ccc6ccccc6c5c34)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is VWQHHQXMKHNCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-4-16-38(17-5-1)51-52(39-18-6-2-7-19-39)55-56-53(54-51)46-33-41(34-48-50(46)49-45-23-13-12-15-37(45)27-31-47(49)58-48)36-24-28-43(29-25-36)57(42-21-8-3-9-22-42)44-30-26-35-14-10-11-20-40(35)32-44/h1-34H.
What are the key properties of N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 742.88 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 167424318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).