3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C65H47N5O — CID 167066510

About 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 167066510) has the molecular formula C65H47N5O and a molecular weight of 914.13 g/mol. Its IUPAC name is 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 167066510
• Molecular Formula: C65H47N5O
• Molecular Weight: 914.13 g/mol
• Exact Mass: 913.38
• IUPAC Name: 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• SMILES: CC1C=CC=CC1c1nc(-c2ccc3c(c2)oc2ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc23)nc(C2C=CC=CC2C)n1
• InChI: InChI=1S/C65H47N5O/c1-40-15-9-11-21-49(40)64-66-63(67-65(68-64)50-22-12-10-16-41(50)2)46-25-30-52-56-38-45(29-34-61(56)71-62(52)39-46)44-28-33-60-55(37-44)54-36-43(27-32-59(54)70(60)48-19-7-4-8-20-48)42-26-31-58-53(35-42)51-23-13-14-24-57(51)69(58)47-17-5-3-6-18-47/h3-41,49-50H,1-2H3
• InChIKey: XJZKMDFFBMRPKP-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.13
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

The IUPAC name of 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 167066510) is 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

What is the SMILES notation for 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

The canonical SMILES for 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is CC1C=CC=CC1c1nc(-c2ccc3c(c2)oc2ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc23)nc(C2C=CC=CC2C)n1.

What is the InChIKey of 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

The InChIKey is XJZKMDFFBMRPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N5O/c1-40-15-9-11-21-49(40)64-66-63(67-65(68-64)50-22-12-10-16-41(50)2)46-25-30-52-56-38-45(29-34-61(56)71-62(52)39-46)44-28-33-60-55(37-44)54-36-43(27-32-59(54)70(60)48-19-7-4-8-20-48)42-26-31-58-53(35-42)51-23-13-14-24-57(51)69(58)47-17-5-3-6-18-47/h3-41,49-50H,1-2H3.

What are the key properties of 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 914.13 g/mol, XLogP of 16.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[4,6-bis(6-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 167066510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).