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

C51H42N4O — CID 167200633

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

4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 167200633) has the molecular formula C51H42N4O and a molecular weight of 726.92 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

• Compound Name: 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• PubChem CID: 167200633
• Molecular Formula: C51H42N4O
• Molecular Weight: 726.92 g/mol
• Exact Mass: 726.34
• IUPAC Name: 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• SMILES: C1=CCCC(c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(C4NC(c5ccccc5)=NC(c5cccc(C6=CCCCC6)c5)N4)c23)=C1
• InChI: InChI=1S/C51H42N4O/c1-4-15-33(16-5-1)36-21-12-22-37(31-36)50-52-49(35-19-8-3-9-20-35)53-51(54-50)42-25-14-28-45-48(42)41-30-29-38(32-46(41)56-45)55-43-26-11-10-23-40(43)47-39(24-13-27-44(47)55)34-17-6-2-7-18-34/h2-3,6,8-15,17,19-32,50-51,54H,1,4-5,7,16,18H2,(H,52,53)
• InChIKey: ROHMUTKVRLTESX-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 54.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.92
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole?

The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (CID 167200633) is 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.

What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole?

The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is C1=CCCC(c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(C4NC(c5ccccc5)=NC(c5cccc(C6=CCCCC6)c5)N4)c23)=C1.

What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole?

The InChIKey is ROHMUTKVRLTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N4O/c1-4-15-33(16-5-1)36-21-12-22-37(31-36)50-52-49(35-19-8-3-9-20-35)53-51(54-50)42-25-14-28-45-48(42)41-30-29-38(32-46(41)56-45)55-43-26-11-10-23-40(43)47-39(24-13-27-44(47)55)34-17-6-2-7-18-34/h2-3,6,8-15,17,19-32,50-51,54H,1,4-5,7,16,18H2,(H,52,53).

What are the key properties of 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole?

4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 726.92 g/mol, XLogP of 12.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 167200633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).