2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile

C103H62N6 — CID 139507209

About 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile (PubChem CID 139507209) has the molecular formula C103H62N6 and a molecular weight of 1383.67 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile.

Molecular Properties

• Compound Name: 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile
• PubChem CID: 139507209
• Molecular Formula: C103H62N6
• Molecular Weight: 1383.67 g/mol
• Exact Mass: 1382.50
• IUPAC Name: 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile
• SMILES: N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2nccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
• InChI: InChI=1S/C103H62N6/c104-63-83-99(106-88-45-23-16-37-74(88)79-59-68(49-53-92(79)106)64-27-5-1-6-28-64)101(108-90-47-25-18-39-76(90)81-61-70(51-55-94(81)108)66-31-9-3-10-32-66)97(98-96-78-41-15-22-44-86(78)103(87(96)57-58-105-98)84-42-20-13-35-72(84)73-36-14-21-43-85(73)103)102(109-91-48-26-19-40-77(91)82-62-71(52-56-95(82)109)67-33-11-4-12-34-67)100(83)107-89-46-24-17-38-75(89)80-60-69(50-54-93(80)107)65-29-7-2-8-30-65/h1-62H
• InChIKey: YFKPSYXGTHICPR-UHFFFAOYSA-N
• XLogP: 26.02
• TPSA: 56.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.67
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile?

The IUPAC name of 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile (CID 139507209) is 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile.

What is the SMILES notation for 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile?

The canonical SMILES for 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2nccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.

What is the InChIKey of 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile?

The InChIKey is YFKPSYXGTHICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H62N6/c104-63-83-99(106-88-45-23-16-37-74(88)79-59-68(49-53-92(79)106)64-27-5-1-6-28-64)101(108-90-47-25-18-39-76(90)81-61-70(51-55-94(81)108)66-31-9-3-10-32-66)97(98-96-78-41-15-22-44-86(78)103(87(96)57-58-105-98)84-42-20-13-35-72(84)73-36-14-21-43-85(73)103)102(109-91-48-26-19-40-77(91)82-62-71(52-56-95(82)109)67-33-11-4-12-34-67)100(83)107-89-46-24-17-38-75(89)80-60-69(50-54-93(80)107)65-29-7-2-8-30-65/h1-62H.

What are the key properties of 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile?

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile has a molecular weight of 1383.67 g/mol, XLogP of 26.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile is sourced from PubChem (CID 139507209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).