5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C69H42N6O — CID 155158629

About 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 155158629) has the molecular formula C69H42N6O and a molecular weight of 971.14 g/mol. Its IUPAC name is 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 155158629
• Molecular Formula: C69H42N6O
• Molecular Weight: 971.14 g/mol
• Exact Mass: 970.34
• IUPAC Name: 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C69H42N6O/c1-4-18-43(19-5-1)44-32-34-46(35-33-44)68-70-67(45-20-6-2-7-21-45)71-69(72-68)53-37-39-61(66-63(53)52-27-13-17-31-62(52)76-66)75-58-38-36-48(74-55-28-14-10-24-49(55)50-25-11-15-29-56(50)74)42-54(58)65-60(75)41-40-59-64(65)51-26-12-16-30-57(51)73(59)47-22-8-3-9-23-47/h1-42H
• InChIKey: CEHFBYQSOUUNJL-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.14
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 155158629) is 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c5oc6ccccc6c45)n3)cc2)cc1.

What is the InChIKey of 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is CEHFBYQSOUUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6O/c1-4-18-43(19-5-1)44-32-34-46(35-33-44)68-70-67(45-20-6-2-7-21-45)71-69(72-68)53-37-39-61(66-63(53)52-27-13-17-31-62(52)76-66)75-58-38-36-48(74-55-28-14-10-24-49(55)50-25-11-15-29-56(50)74)42-54(58)65-60(75)41-40-59-64(65)51-26-12-16-30-57(51)73(59)47-22-8-3-9-23-47/h1-42H.

What are the key properties of 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 971.14 g/mol, XLogP of 17.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 155158629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).