2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile

C64H48N6 — CID 118404976

IUPAC2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
SMILESCCn1c2ccccc2c2cc(-c3c(C#N)c(-c4ccc5c(c4)c4ccccc4n5CC)c(-c4ccc5c(c4)c4ccccc4n5CC)c(C#N)c3-c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C64H48N6/c1-5-67-53-21-13-9-17-43(53)47-33-39(25-29-57(47)67)61-51(37-65)63(41-27-31-59-49(35-41)45-19-11-15-23-55(45)69(59)7-3)64(42-28-32-60-50(36-42)46-20-12-16-24-56(46)70(60)8-4)52(38-66)62(61)40-26-30-58-48(34-40)44-18-10-14-22-54(44)68(58)6-2/h9-36H,5-8H2,1-4H3
InChIKeyHXXAMNGGALIQDD-UHFFFAOYSA-N
MW901.13 g/mol
LogP16.61
Rot. Bonds8

About 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile

2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile (PubChem CID 118404976) has the molecular formula C64H48N6 and a molecular weight of 901.13 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
PubChem CID118404976
Molecular FormulaC64H48N6
Molecular Weight901.13 g/mol
Exact Mass900.39
IUPAC Name2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
SMILESCCn1c2ccccc2c2cc(-c3c(C#N)c(-c4ccc5c(c4)c4ccccc4n5CC)c(-c4ccc5c(c4)c4ccccc4n5CC)c(C#N)c3-c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C64H48N6/c1-5-67-53-21-13-9-17-43(53)47-33-39(25-29-57(47)67)61-51(37-65)63(41-27-31-59-49(35-41)45-19-11-15-23-55(45)69(59)7-3)64(42-28-32-60-50(36-42)46-20-12-16-24-56(46)70(60)8-4)52(38-66)62(61)40-26-30-58-48(34-40)44-18-10-14-22-54(44)68(58)6-2/h9-36H,5-8H2,1-4H3
InChIKeyHXXAMNGGALIQDD-UHFFFAOYSA-N
XLogP16.61
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.13
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
1,2-diethylindole-3-carbonitrile
CID 22689233
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
CID 22689249
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
2,4,6-tris[3-(4-propylphenyl)carbazol-9-yl]benzene-1,3,5-tricarbonitrile
CID 121407143
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile (CID 118404976) is 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile is CCn1c2ccccc2c2cc(-c3c(C#N)c(-c4ccc5c(c4)c4ccccc4n5CC)c(-c4ccc5c(c4)c4ccccc4n5CC)c(C#N)c3-c3ccc4c(c3)c3ccccc3n4CC)ccc21.
What is the InChIKey of 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile?
The InChIKey is HXXAMNGGALIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N6/c1-5-67-53-21-13-9-17-43(53)47-33-39(25-29-57(47)67)61-51(37-65)63(41-27-31-59-49(35-41)45-19-11-15-23-55(45)69(59)7-3)64(42-28-32-60-50(36-42)46-20-12-16-24-56(46)70(60)8-4)52(38-66)62(61)40-26-30-58-48(34-40)44-18-10-14-22-54(44)68(58)6-2/h9-36H,5-8H2,1-4H3.
What are the key properties of 2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile?
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile has a molecular weight of 901.13 g/mol, XLogP of 16.61, 8 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(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 118404976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).