2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C55H43N3 — CID 118476390

About 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118476390) has the molecular formula C55H43N3 and a molecular weight of 745.97 g/mol. Its IUPAC name is 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 118476390
• Molecular Formula: C55H43N3
• Molecular Weight: 745.97 g/mol
• Exact Mass: 745.35
• IUPAC Name: 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: CC1C=CC(c2cc(C3=CC=CCC3C)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)c2)=CC1
• InChI: InChI=1S/C55H43N3/c1-36-20-22-38(23-21-36)42-33-50(56-51(34-42)45-15-7-6-12-37(45)2)39-24-28-44(29-25-39)57-53-19-11-9-17-47(53)49-32-40(27-31-54(49)57)41-26-30-48-46-16-8-10-18-52(46)58(55(48)35-41)43-13-4-3-5-14-43/h3-11,13-20,22-37H,12,21H2,1-2H3
• InChIKey: ZZUBXOQNYYPJOD-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.97
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 118476390) is 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole is CC1C=CC(c2cc(C3=CC=CCC3C)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)c2)=CC1.

What is the InChIKey of 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is ZZUBXOQNYYPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3/c1-36-20-22-38(23-21-36)42-33-50(56-51(34-42)45-15-7-6-12-37(45)2)39-24-28-44(29-25-39)57-53-19-11-9-17-47(53)49-32-40(27-31-54(49)57)41-26-30-48-46-16-8-10-18-52(46)58(55(48)35-41)43-13-4-3-5-14-43/h3-11,13-20,22-37H,12,21H2,1-2H3.

What are the key properties of 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 745.97 g/mol, XLogP of 14.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118476390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).