4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile

C74H44N6 — CID 164743889

IUPAC4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C74H44N6/c75-45-47-33-37-71(79-69-31-15-7-23-57(69)61-43-49(35-39-73(61)79)51-17-1-9-25-63(51)77-65-27-11-3-19-53(65)54-20-4-12-28-66(54)77)59(41-47)60-42-48(46-76)34-38-72(60)80-70-32-16-8-24-58(70)62-44-50(36-40-74(62)80)52-18-2-10-26-64(52)78-67-29-13-5-21-55(67)56-22-6-14-30-68(56)78/h1-44H
InChIKeyWDSSZZLXKMTLSA-UHFFFAOYSA-N
MW1017.21 g/mol
LogP18.82
Rot. Bonds7

About 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile

4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile (PubChem CID 164743889) has the molecular formula C74H44N6 and a molecular weight of 1017.21 g/mol. Its IUPAC name is 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
PubChem CID164743889
Molecular FormulaC74H44N6
Molecular Weight1017.21 g/mol
Exact Mass1016.36
IUPAC Name4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C74H44N6/c75-45-47-33-37-71(79-69-31-15-7-23-57(69)61-43-49(35-39-73(61)79)51-17-1-9-25-63(51)77-65-27-11-3-19-53(65)54-20-4-12-28-66(54)77)59(41-47)60-42-48(46-76)34-38-72(60)80-70-32-16-8-24-58(70)62-44-50(36-40-74(62)80)52-18-2-10-26-64(52)78-67-29-13-5-21-55(67)56-22-6-14-30-68(56)78/h1-44H
InChIKeyWDSSZZLXKMTLSA-UHFFFAOYSA-N
XLogP18.82
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.21
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
3-carbazol-9-yl-6-[4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155081593
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The IUPAC name of 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile (CID 164743889) is 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile.
What is the SMILES notation for 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The canonical SMILES for 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The InChIKey is WDSSZZLXKMTLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N6/c75-45-47-33-37-71(79-69-31-15-7-23-57(69)61-43-49(35-39-73(61)79)51-17-1-9-25-63(51)77-65-27-11-3-19-53(65)54-20-4-12-28-66(54)77)59(41-47)60-42-48(46-76)34-38-72(60)80-70-32-16-8-24-58(70)62-44-50(36-40-74(62)80)52-18-2-10-26-64(52)78-67-29-13-5-21-55(67)56-22-6-14-30-68(56)78/h1-44H.
What are the key properties of 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile?
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile has a molecular weight of 1017.21 g/mol, XLogP of 18.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile is sourced from PubChem (CID 164743889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).