3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole

C106H68N2 — CID 59306967

About 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole

3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole (PubChem CID 59306967) has the molecular formula C106H68N2 and a molecular weight of 1369.72 g/mol. Its IUPAC name is 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
• PubChem CID: 59306967
• Molecular Formula: C106H68N2
• Molecular Weight: 1369.72 g/mol
• Exact Mass: 1368.54
• IUPAC Name: 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)cc8c8cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C106H68N2/c1-6-26-70(27-7-1)103-88-39-16-18-41-90(88)104(91-42-19-17-40-89(91)103)71-48-57-82(58-49-71)107-99-45-25-22-38-87(99)92-64-72(52-61-100(92)107)69-46-55-81(56-47-69)108-101-62-53-73(75-50-59-85-83-36-20-23-43-95(83)105(97(85)67-75,77-28-8-2-9-29-77)78-30-10-3-11-31-78)65-93(101)94-66-74(54-63-102(94)108)76-51-60-86-84-37-21-24-44-96(84)106(98(86)68-76,79-32-12-4-13-33-79)80-34-14-5-15-35-80/h1-68H
• InChIKey: WZMZLWFZVSIOGS-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.72
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole?

The IUPAC name of 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole (CID 59306967) is 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole.

What is the SMILES notation for 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole?

The canonical SMILES for 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)cc8c8cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)ccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole?

The InChIKey is WZMZLWFZVSIOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H68N2/c1-6-26-70(27-7-1)103-88-39-16-18-41-90(88)104(91-42-19-17-40-89(91)103)71-48-57-82(58-49-71)107-99-45-25-22-38-87(99)92-64-72(52-61-100(92)107)69-46-55-81(56-47-69)108-101-62-53-73(75-50-59-85-83-36-20-23-43-95(83)105(97(85)67-75,77-28-8-2-9-29-77)78-30-10-3-11-31-78)65-93(101)94-66-74(54-63-102(94)108)76-51-60-86-84-37-21-24-44-96(84)106(98(86)68-76,79-32-12-4-13-33-79)80-34-14-5-15-35-80/h1-68H.

What are the key properties of 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole?

3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole has a molecular weight of 1369.72 g/mol, XLogP of 27.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 59306967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).