3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C79H55N5 — CID 89431262

About 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 89431262) has the molecular formula C79H55N5 and a molecular weight of 1074.34 g/mol. Its IUPAC name is 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
• PubChem CID: 89431262
• Molecular Formula: C79H55N5
• Molecular Weight: 1074.34 g/mol
• Exact Mass: 1073.45
• IUPAC Name: 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
• SMILES: C1=CCCC(C2=Cc3c(n(-c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)ccc65)cc34)CC2)=C1
• InChI: InChI=1S/C79H55N5/c1-6-18-52(19-7-1)56-32-40-72-65(46-56)67-49-59(35-43-73(67)82(72)63-37-30-55(31-38-63)79-80-71-28-16-17-29-78(71)84(79)62-26-14-5-15-27-62)60-36-44-76-68(50-60)66-47-57(53-20-8-2-9-21-53)34-42-75(66)83(76)64-39-45-77-70(51-64)69-48-58(54-22-10-3-11-23-54)33-41-74(69)81(77)61-24-12-4-13-25-61/h1-10,12-22,24-32,34-40,42-51H,11,23,33,41H2
• InChIKey: OUSYLMFEACDSRO-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 32.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.34
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

The IUPAC name of 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 89431262) is 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

What is the SMILES notation for 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

The canonical SMILES for 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is C1=CCCC(C2=Cc3c(n(-c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)ccc65)cc34)CC2)=C1.

What is the InChIKey of 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

The InChIKey is OUSYLMFEACDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55N5/c1-6-18-52(19-7-1)56-32-40-72-65(46-56)67-49-59(35-43-73(67)82(72)63-37-30-55(31-38-63)79-80-71-28-16-17-29-78(71)84(79)62-26-14-5-15-27-62)60-36-44-76-68(50-60)66-47-57(53-20-8-2-9-21-53)34-42-75(66)83(76)64-39-45-77-70(51-64)69-48-58(54-22-10-3-11-23-54)33-41-74(69)81(77)61-24-12-4-13-25-61/h1-10,12-22,24-32,34-40,42-51H,11,23,33,41H2.

What are the key properties of 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 1074.34 g/mol, XLogP of 20.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 89431262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).