N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine

C49H34N4O — CID 170094690

IUPACN-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)c34)n2)=C1
InChIInChI=1S/C49H34N4O/c1-4-15-35(16-5-1)47-50-48(36-17-6-2-7-18-36)52-49(51-47)37-28-31-42-45(32-37)54-44-25-13-23-41(46(42)44)34-26-29-39(30-27-34)53(38-20-8-3-9-21-38)43-24-12-19-33-14-10-11-22-40(33)43/h1-6,8-17,19-32H,7,18H2
InChIKeyLAQMDTURAHJUTC-UHFFFAOYSA-N
MW694.84 g/mol
LogP13.13
Rot. Bonds7

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

N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 170094690) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID170094690
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC NameN-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)c34)n2)=C1
InChIInChI=1S/C49H34N4O/c1-4-15-35(16-5-1)47-50-48(36-17-6-2-7-18-36)52-49(51-47)37-28-31-42-45(32-37)54-44-25-13-23-41(46(42)44)34-26-29-39(30-27-34)53(38-20-8-3-9-21-38)43-24-12-19-33-14-10-11-22-40(33)43/h1-6,8-17,19-32H,7,18H2
InChIKeyLAQMDTURAHJUTC-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 N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

3-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-bis(4-phenylphenyl)aniline
CID 170297555
N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166974750
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166867397
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
2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 167182994
2-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167007246
N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 170094690) is N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine is C1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)c34)n2)=C1.
What is the InChIKey of N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is LAQMDTURAHJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-4-15-35(16-5-1)47-50-48(36-17-6-2-7-18-36)52-49(51-47)37-28-31-42-45(32-37)54-44-25-13-23-41(46(42)44)34-26-29-39(30-27-34)53(38-20-8-3-9-21-38)43-24-12-19-33-14-10-11-22-40(33)43/h1-6,8-17,19-32H,7,18H2.
What are the key properties of N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-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 N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 170094690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).