9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole

C51H38N4O — CID 145067647

IUPAC9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
SMILESC1=CCC(C2=NC(c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C51H38N4O/c1-4-14-33(15-5-1)36-26-28-45-43(31-36)44-32-37(40-23-13-24-42-41-22-10-11-25-47(41)56-48(40)42)27-29-46(44)55(45)39-21-12-20-38(30-39)51-53-49(34-16-6-2-7-17-34)52-50(54-51)35-18-8-3-9-19-35/h1-18,20-32,35,49,51,53H,19H2,(H,52,54)
InChIKeyXZOOVJWFEVHFJO-UHFFFAOYSA-N
MW722.89 g/mol
LogP12.44
Rot. Bonds6

About 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole

9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole (PubChem CID 145067647) has the molecular formula C51H38N4O and a molecular weight of 722.89 g/mol. Its IUPAC name is 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
PubChem CID145067647
Molecular FormulaC51H38N4O
Molecular Weight722.89 g/mol
Exact Mass722.30
IUPAC Name9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
SMILESC1=CCC(C2=NC(c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C51H38N4O/c1-4-14-33(15-5-1)36-26-28-45-43(31-36)44-32-37(40-23-13-24-42-41-22-10-11-25-47(41)56-48(40)42)27-29-46(44)55(45)39-21-12-20-38(30-39)51-53-49(34-16-6-2-7-17-34)52-50(54-51)35-18-8-3-9-19-35/h1-18,20-32,35,49,51,53H,19H2,(H,52,54)
InChIKeyXZOOVJWFEVHFJO-UHFFFAOYSA-N
XLogP12.44
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 512.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole with MolForge

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Related Compounds

3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
6-cyclohexa-2,4-dien-1-yl-2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-4-yl)-4-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163688757
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole
CID 155238394
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane
CID 159059972

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole?
The IUPAC name of 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole (CID 145067647) is 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole.
What is the SMILES notation for 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole?
The canonical SMILES for 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole is C1=CCC(C2=NC(c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)NC(c3ccccc3)N2)C=C1.
What is the InChIKey of 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole?
The InChIKey is XZOOVJWFEVHFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4O/c1-4-14-33(15-5-1)36-26-28-45-43(31-36)44-32-37(40-23-13-24-42-41-22-10-11-25-47(41)56-48(40)42)27-29-46(44)55(45)39-21-12-20-38(30-39)51-53-49(34-16-6-2-7-17-34)52-50(54-51)35-18-8-3-9-19-35/h1-18,20-32,35,49,51,53H,19H2,(H,52,54).
What are the key properties of 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole?
9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole has a molecular weight of 722.89 g/mol, XLogP of 12.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole is sourced from PubChem (CID 145067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).