7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

C49H34N4O — CID 170095099

IUPAC7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc34)n2)=CCC1
InChIInChI=1S/C49H34N4O/c1-4-13-33(14-5-1)34-23-26-39(27-24-34)53(44-22-12-20-35-15-10-11-21-41(35)44)40-28-30-45-43(32-40)42-29-25-38(31-46(42)54-45)49-51-47(36-16-6-2-7-17-36)50-48(52-49)37-18-8-3-9-19-37/h1-2,4-8,10-32H,3,9H2
InChIKeyXDCQIUFJQWMXGB-UHFFFAOYSA-N
MW694.84 g/mol
LogP13.13
Rot. Bonds7

About 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170095099) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID170095099
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC Name7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc34)n2)=CCC1
InChIInChI=1S/C49H34N4O/c1-4-13-33(14-5-1)34-23-26-39(27-24-34)53(44-22-12-20-35-15-10-11-21-41(35)44)40-28-30-45-43(32-40)42-29-25-38(31-46(42)54-45)49-51-47(36-16-6-2-7-17-36)50-48(52-49)37-18-8-3-9-19-37/h1-2,4-8,10-32H,3,9H2
InChIKeyXDCQIUFJQWMXGB-UHFFFAOYSA-N
XLogP13.13
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine with MolForge

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Related Compounds

9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 170020737
9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine
CID 170021344
N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170095080
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-[4-(7-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167184344

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 170095099) is 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is C1=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc34)n2)=CCC1.
What is the InChIKey of 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is XDCQIUFJQWMXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-4-13-33(14-5-1)34-23-26-39(27-24-34)53(44-22-12-20-35-15-10-11-21-41(35)44)40-28-30-45-43(32-40)42-29-25-38(31-46(42)54-45)49-51-47(36-16-6-2-7-17-36)50-48(52-49)37-18-8-3-9-19-37/h1-2,4-8,10-32H,3,9H2.
What are the key properties of 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 694.84 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170095099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).