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

C103H62N6 — CID 139507190

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

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile (PubChem CID 139507190) 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-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile.

Molecular Properties

• Compound Name: 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile
• PubChem CID: 139507190
• 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-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile
• SMILES: N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cnc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
• InChI: InChI=1S/C103H62N6/c104-62-85-98(106-89-45-23-16-38-76(89)80-57-68(49-53-93(80)106)64-27-5-1-6-28-64)100(108-91-47-25-18-40-78(91)82-59-70(51-55-95(82)108)66-31-9-3-10-32-66)97(72-61-84-75-37-15-22-44-88(75)103(102(84)105-63-72)86-42-20-13-35-73(86)74-36-14-21-43-87(74)103)101(109-92-48-26-19-41-79(92)83-60-71(52-56-96(83)109)67-33-11-4-12-34-67)99(85)107-90-46-24-17-39-77(90)81-58-69(50-54-94(81)107)65-29-7-2-8-30-65/h1-61,63H
• InChIKey: RFCWBMZWQGSMHX-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-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile?

The IUPAC name of 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile (CID 139507190) is 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile.

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

The canonical SMILES for 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cnc3c(c2)-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-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile?

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

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

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-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-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile is sourced from PubChem (CID 139507190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).