5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile

C62H34N4O2 — CID 166874417

IUPAC5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)c(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C62H34N4O2/c63-35-42-28-43(36-64)62(66-53-27-25-41(38-16-6-2-7-17-38)30-47(53)49-34-59-51(32-55(49)66)45-21-11-13-23-57(45)68-59)60(39-18-8-3-9-19-39)61(42)65-52-26-24-40(37-14-4-1-5-15-37)29-46(52)48-33-58-50(31-54(48)65)44-20-10-12-22-56(44)67-58/h1-34H
InChIKeyVFXQOHPCGQKIJM-UHFFFAOYSA-N
MW866.98 g/mol
LogP16.42
Rot. Bonds5

About 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile

5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile (PubChem CID 166874417) has the molecular formula C62H34N4O2 and a molecular weight of 866.98 g/mol. Its IUPAC name is 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
PubChem CID166874417
Molecular FormulaC62H34N4O2
Molecular Weight866.98 g/mol
Exact Mass866.27
IUPAC Name5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)c(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C62H34N4O2/c63-35-42-28-43(36-64)62(66-53-27-25-41(38-16-6-2-7-17-38)30-47(53)49-34-59-51(32-55(49)66)45-21-11-13-23-57(45)68-59)60(39-18-8-3-9-19-39)61(42)65-52-26-24-40(37-14-4-1-5-15-37)29-46(52)48-33-58-50(31-54(48)65)44-20-10-12-22-56(44)67-58/h1-34H
InChIKeyVFXQOHPCGQKIJM-UHFFFAOYSA-N
XLogP16.42
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.98
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-bis([1]benzofuro[3,2-b]carbazol-11-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 174169849
3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139713
2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129300213
5-isocyano-3-phenyl-2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 168824358
1,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139834
26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene
CID 118361069
2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
CID 139339701
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile
CID 154989339

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile (CID 166874417) is 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)c(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc3oc4ccccc4c3cc21.
What is the InChIKey of 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile?
The InChIKey is VFXQOHPCGQKIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34N4O2/c63-35-42-28-43(36-64)62(66-53-27-25-41(38-16-6-2-7-17-38)30-47(53)49-34-59-51(32-55(49)66)45-21-11-13-23-57(45)68-59)60(39-18-8-3-9-19-39)61(42)65-52-26-24-40(37-14-4-1-5-15-37)29-46(52)48-33-58-50(31-54(48)65)44-20-10-12-22-56(44)67-58/h1-34H.
What are the key properties of 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile?
5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile has a molecular weight of 866.98 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166874417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).