N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine

C53H34N4O — CID 169048881

IUPACN-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-37(17-5-1)51-54-52(38-18-6-2-7-19-38)56-53(55-51)47-34-46-45-33-39(29-32-49(45)58-50(46)44-25-13-12-24-43(44)47)35-27-30-41(31-28-35)57(40-21-8-3-9-22-40)48-26-14-20-36-15-10-11-23-42(36)48/h1-34H
InChIKeyIGNHWKXBUNIMIA-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.22
Rot. Bonds7

About N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 169048881) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID169048881
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC NameN-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-37(17-5-1)51-54-52(38-18-6-2-7-19-38)56-53(55-51)47-34-46-45-33-39(29-32-49(45)58-50(46)44-25-13-12-24-43(44)47)35-27-30-41(31-28-35)57(40-21-8-3-9-22-40)48-26-14-20-36-15-10-11-23-42(36)48/h1-34H
InChIKeyIGNHWKXBUNIMIA-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

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169294604
2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143605
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 169048809
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757155
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167402145
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 169048881) is N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc5oc4c4ccccc34)n2)cc1.
What is the InChIKey of N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is IGNHWKXBUNIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-4-16-37(17-5-1)51-54-52(38-18-6-2-7-19-38)56-53(55-51)47-34-46-45-33-39(29-32-49(45)58-50(46)44-25-13-12-24-43(44)47)35-27-30-41(31-28-35)57(40-21-8-3-9-22-40)48-26-14-20-36-15-10-11-23-42(36)48/h1-34H.
What are the key properties of N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 169048881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).