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

C103H62N6 — CID 139507224

IUPAC2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccc3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C103H62N6/c104-63-83-99(106-89-45-23-16-37-74(89)79-59-68(49-55-93(79)106)64-27-5-1-6-28-64)101(108-91-47-25-18-39-76(91)81-61-70(51-57-95(81)108)66-31-9-3-10-32-66)97(88-54-53-87-98(105-88)78-41-15-22-44-86(78)103(87)84-42-20-13-35-72(84)73-36-14-21-43-85(73)103)102(109-92-48-26-19-40-77(92)82-62-71(52-58-96(82)109)67-33-11-4-12-34-67)100(83)107-90-46-24-17-38-75(90)80-60-69(50-56-94(80)107)65-29-7-2-8-30-65/h1-62H
InChIKeyLOQGBPXKFOYLRH-UHFFFAOYSA-N
MW1383.67 g/mol
LogP26.02
Rot. Bonds9

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

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile (PubChem CID 139507224) 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-b]pyridine]-2'-ylbenzonitrile.

Molecular Properties

Compound Name2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile
PubChem CID139507224
Molecular FormulaC103H62N6
Molecular Weight1383.67 g/mol
Exact Mass1382.50
IUPAC Name2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccc3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C103H62N6/c104-63-83-99(106-89-45-23-16-37-74(89)79-59-68(49-55-93(79)106)64-27-5-1-6-28-64)101(108-91-47-25-18-39-76(91)81-61-70(51-57-95(81)108)66-31-9-3-10-32-66)97(88-54-53-87-98(105-88)78-41-15-22-44-86(78)103(87)84-42-20-13-35-72(84)73-36-14-21-43-85(73)103)102(109-92-48-26-19-40-77(92)82-62-71(52-58-96(82)109)67-33-11-4-12-34-67)100(83)107-90-46-24-17-38-75(90)80-60-69(50-56-94(80)107)65-29-7-2-8-30-65/h1-62H
InChIKeyLOQGBPXKFOYLRH-UHFFFAOYSA-N
XLogP26.02
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.67
LogP ≤ 526.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile
CID 139507209
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile
CID 139507190
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[[1]benzosilolo[2,3-c]pyridine-9,5'-benzo[b][1]benzosilole]-3-ylbenzonitrile
CID 153434991
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
14-[4-(4-carbazol-9-ylphenyl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-[4-(3,6-diphenylcarbazol-9-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 158277667
2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-7'-ylbenzonitrile
CID 139507200
2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 156678674
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile
CID 174302221

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-b]pyridine]-2'-ylbenzonitrile?
The IUPAC name of 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile (CID 139507224) is 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile.
What is the SMILES notation for 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile?
The canonical SMILES for 2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccc3c(n2)-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-b]pyridine]-2'-ylbenzonitrile?
The InChIKey is LOQGBPXKFOYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H62N6/c104-63-83-99(106-89-45-23-16-37-74(89)79-59-68(49-55-93(79)106)64-27-5-1-6-28-64)101(108-91-47-25-18-39-76(91)81-61-70(51-57-95(81)108)66-31-9-3-10-32-66)97(88-54-53-87-98(105-88)78-41-15-22-44-86(78)103(87)84-42-20-13-35-72(84)73-36-14-21-43-85(73)103)102(109-92-48-26-19-40-77(92)82-62-71(52-58-96(82)109)67-33-11-4-12-34-67)100(83)107-90-46-24-17-38-75(90)80-60-69(50-56-94(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-b]pyridine]-2'-ylbenzonitrile?
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-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-b]pyridine]-2'-ylbenzonitrile is sourced from PubChem (CID 139507224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).