3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile

C50H30N4O — CID 168774831

IUPAC3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)c2)cc2ccccc12
InChIInChI=1S/C50H30N4O/c51-31-41-29-40(28-36-16-7-8-21-42(36)41)35-18-10-20-38(27-35)49-52-48(33-14-5-2-6-15-33)53-50(54-49)39-24-25-44-46(30-39)55-45-23-11-22-43(47(44)45)37-19-9-17-34(26-37)32-12-3-1-4-13-32/h1-30H
InChIKeyQRZJBBDSMYXWJF-UHFFFAOYSA-N
MW702.82 g/mol
LogP12.80
Rot. Bonds6

About 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile

3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile (PubChem CID 168774831) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
PubChem CID168774831
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)c2)cc2ccccc12
InChIInChI=1S/C50H30N4O/c51-31-41-29-40(28-36-16-7-8-21-42(36)41)35-18-10-20-38(27-35)49-52-48(33-14-5-2-6-15-33)53-50(54-49)39-24-25-44-46(30-39)55-45-23-11-22-43(47(44)45)37-19-9-17-34(26-37)32-12-3-1-4-13-32/h1-30H
InChIKeyQRZJBBDSMYXWJF-UHFFFAOYSA-N
XLogP12.80
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774545
2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797435
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165084892
4-[4-[4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774590
2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774810
2-[4-[4-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774616
3-[4-[4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774923
2-[4-[4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774553
3-[4-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774620
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile?
The IUPAC name of 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile (CID 168774831) is 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile?
The canonical SMILES for 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile is N#Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)c2)cc2ccccc12.
What is the InChIKey of 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile?
The InChIKey is QRZJBBDSMYXWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c51-31-41-29-40(28-36-16-7-8-21-42(36)41)35-18-10-20-38(27-35)49-52-48(33-14-5-2-6-15-33)53-50(54-49)39-24-25-44-46(30-39)55-45-23-11-22-43(47(44)45)37-19-9-17-34(26-37)32-12-3-1-4-13-32/h1-30H.
What are the key properties of 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile?
3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile has a molecular weight of 702.82 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 168774831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).