9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile

C102H61N9 — CID 156574216

IUPAC9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccc3-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2cc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2c1
InChIInChI=1S/C102H61N9/c103-62-64-56-81-75-31-8-20-43-93(75)109(91-41-18-7-29-73(91)72-28-6-17-40-90(72)108-92-42-19-9-32-76(92)82-58-65(49-53-96(82)108)105-85-35-12-1-24-68(85)69-25-2-13-36-86(69)105)100(81)61-80(64)63-48-52-79-74-30-5-16-39-89(74)107(99(79)57-63)67-51-55-98-84(60-67)78-34-11-22-45-95(78)111(98)102-47-23-46-101(104-102)110-94-44-21-10-33-77(94)83-59-66(50-54-97(83)110)106-87-37-14-3-26-70(87)71-27-4-15-38-88(71)106/h1-61H
InChIKeyRIQKZYJHVFCMTB-UHFFFAOYSA-N
MW1412.67 g/mol
LogP25.97
Rot. Bonds9

About 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile

9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile (PubChem CID 156574216) has the molecular formula C102H61N9 and a molecular weight of 1412.67 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile
PubChem CID156574216
Molecular FormulaC102H61N9
Molecular Weight1412.67 g/mol
Exact Mass1411.50
IUPAC Name9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccc3-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2cc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2c1
InChIInChI=1S/C102H61N9/c103-62-64-56-81-75-31-8-20-43-93(75)109(91-41-18-7-29-73(91)72-28-6-17-40-90(72)108-92-42-19-9-32-76(92)82-58-65(49-53-96(82)108)105-85-35-12-1-24-68(85)69-25-2-13-36-86(69)105)100(81)61-80(64)63-48-52-79-74-30-5-16-39-89(74)107(99(79)57-63)67-51-55-98-84(60-67)78-34-11-22-45-95(78)111(98)102-47-23-46-101(104-102)110-94-44-21-10-33-77(94)83-59-66(50-54-97(83)110)106-87-37-14-3-26-70(87)71-27-4-15-38-88(71)106/h1-61H
InChIKeyRIQKZYJHVFCMTB-UHFFFAOYSA-N
XLogP25.97
TPSA71.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001412.67
LogP ≤ 525.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile with MolForge

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Related Compounds

5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile (CID 156574216) is 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile is N#Cc1cc2c3ccccc3n(-c3ccccc3-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2cc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2c1.
What is the InChIKey of 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile?
The InChIKey is RIQKZYJHVFCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H61N9/c103-62-64-56-81-75-31-8-20-43-93(75)109(91-41-18-7-29-73(91)72-28-6-17-40-90(72)108-92-42-19-9-32-76(92)82-58-65(49-53-96(82)108)105-85-35-12-1-24-68(85)69-25-2-13-36-86(69)105)100(81)61-80(64)63-48-52-79-74-30-5-16-39-89(74)107(99(79)57-63)67-51-55-98-84(60-67)78-34-11-22-45-95(78)111(98)102-47-23-46-101(104-102)110-94-44-21-10-33-77(94)83-59-66(50-54-97(83)110)106-87-37-14-3-26-70(87)71-27-4-15-38-88(71)106/h1-61H.
What are the key properties of 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile?
9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile has a molecular weight of 1412.67 g/mol, XLogP of 25.97, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 156574216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).