9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C33H19ClN4O — CID 153037447

IUPAC9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESClc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2c1
InChIInChI=1S/C33H19ClN4O/c34-21-17-18-28-25(19-21)30-24(13-8-16-29(30)39-28)32-35-31(20-9-2-1-3-10-20)36-33(37-32)38-26-14-6-4-11-22(26)23-12-5-7-15-27(23)38/h1-19H
InChIKeyVFAIXCRQNDVAGZ-UHFFFAOYSA-N
MW523.00 g/mol
LogP8.86
Rot. Bonds3

About 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 153037447) has the molecular formula C33H19ClN4O and a molecular weight of 523.00 g/mol. Its IUPAC name is 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID153037447
Molecular FormulaC33H19ClN4O
Molecular Weight523.00 g/mol
Exact Mass522.12
IUPAC Name9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESClc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2c1
InChIInChI=1S/C33H19ClN4O/c34-21-17-18-28-25(19-21)30-24(13-8-16-29(30)39-28)32-35-31(20-9-2-1-3-10-20)36-33(37-32)38-26-14-6-4-11-22(26)23-12-5-7-15-27(23)38/h1-19H
InChIKeyVFAIXCRQNDVAGZ-UHFFFAOYSA-N
XLogP8.86
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.00
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091
2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305

Frequently Asked Questions

What is the IUPAC name of 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 153037447) is 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is Clc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2c1.
What is the InChIKey of 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is VFAIXCRQNDVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19ClN4O/c34-21-17-18-28-25(19-21)30-24(13-8-16-29(30)39-28)32-35-31(20-9-2-1-3-10-20)36-33(37-32)38-26-14-6-4-11-22(26)23-12-5-7-15-27(23)38/h1-19H.
What are the key properties of 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 523.00 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 153037447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).