5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile

C67H33N9 — CID 139538817

IUPAC5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C67H33N9/c68-34-41-25-42(35-69)27-52(26-41)67-65(75-61-30-44(53-13-5-1-9-48(53)37-71)17-21-57(61)58-22-18-45(31-62(58)75)54-14-6-2-10-49(54)38-72)28-43(36-70)29-66(67)76-63-32-46(55-15-7-3-11-50(55)39-73)19-23-59(63)60-24-20-47(33-64(60)76)56-16-8-4-12-51(56)40-74/h1-33H
InChIKeyGYEDQZCTBWOFCF-UHFFFAOYSA-N
MW964.06 g/mol
LogP15.32
Rot. Bonds7

About 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile

5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 139538817) has the molecular formula C67H33N9 and a molecular weight of 964.06 g/mol. Its IUPAC name is 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
PubChem CID139538817
Molecular FormulaC67H33N9
Molecular Weight964.06 g/mol
Exact Mass963.29
IUPAC Name5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C67H33N9/c68-34-41-25-42(35-69)27-52(26-41)67-65(75-61-30-44(53-13-5-1-9-48(53)37-71)17-21-57(61)58-22-18-45(31-62(58)75)54-14-6-2-10-49(54)38-72)28-43(36-70)29-66(67)76-63-32-46(55-15-7-3-11-50(55)39-73)19-23-59(63)60-24-20-47(33-64(60)76)56-16-8-4-12-51(56)40-74/h1-33H
InChIKeyGYEDQZCTBWOFCF-UHFFFAOYSA-N
XLogP15.32
TPSA176.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.06
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
CID 166057505
4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146237996
5-[3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612269
3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216621
2-[4-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 147847714
5-[4-cyano-2,6-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538740
5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612272
4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134321342
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile (CID 139538817) is 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1.
What is the InChIKey of 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile?
The InChIKey is GYEDQZCTBWOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H33N9/c68-34-41-25-42(35-69)27-52(26-41)67-65(75-61-30-44(53-13-5-1-9-48(53)37-71)17-21-57(61)58-22-18-45(31-62(58)75)54-14-6-2-10-49(54)38-72)28-43(36-70)29-66(67)76-63-32-46(55-15-7-3-11-50(55)39-73)19-23-59(63)60-24-20-47(33-64(60)76)56-16-8-4-12-51(56)40-74/h1-33H.
What are the key properties of 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile?
5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile has a molecular weight of 964.06 g/mol, XLogP of 15.32, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139538817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).