(Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile

C90H85N9 — CID 101085285

IUPAC(Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile
SMILESCCCCC(CC)Cn1c2ccc(/C=C(\C#N)c3ccc(/C(C#N)=C/c4ccc5c(c4)c4cc(/C=C/C#N)ccc4n5CC(CC)CCCC)cc3)cc2c2cc(/C=C(\C#N)c3ccc(/C(C#N)=C/c4ccc5c(c4)c4cc(/C=C/C#N)ccc4n5CC(CC)CCCC)cc3)ccc21
InChIInChI=1S/C90H85N9/c1-7-13-18-62(10-4)59-97-85-37-23-65(21-16-43-91)49-79(85)81-51-67(25-39-87(81)97)45-75(55-93)71-29-33-73(34-30-71)77(57-95)47-69-27-41-89-83(53-69)84-54-70(28-42-90(84)99(89)61-64(12-6)20-15-9-3)48-78(58-96)74-35-31-72(32-36-74)76(56-94)46-68-26-40-88-82(52-68)80-50-66(22-17-44-92)24-38-86(80)98(88)60-63(11-5)19-14-8-2/h16-17,21-42,45-54,62-64H,7-15,18-20,59-61H2,1-6H3/b21-16+,22-17+,75-45+,76-46+,77-47+,78-48+
InChIKeyUZDGRYSOXNRUIU-YEUQYZNESA-N
MW1292.73 g/mol
LogP23.99
Rot. Bonds28

About (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile

(Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile (PubChem CID 101085285) has the molecular formula C90H85N9 and a molecular weight of 1292.73 g/mol. Its IUPAC name is (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile
PubChem CID101085285
Molecular FormulaC90H85N9
Molecular Weight1292.73 g/mol
Exact Mass1291.69
IUPAC Name(Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile
SMILESCCCCC(CC)Cn1c2ccc(/C=C(\C#N)c3ccc(/C(C#N)=C/c4ccc5c(c4)c4cc(/C=C/C#N)ccc4n5CC(CC)CCCC)cc3)cc2c2cc(/C=C(\C#N)c3ccc(/C(C#N)=C/c4ccc5c(c4)c4cc(/C=C/C#N)ccc4n5CC(CC)CCCC)cc3)ccc21
InChIInChI=1S/C90H85N9/c1-7-13-18-62(10-4)59-97-85-37-23-65(21-16-43-91)49-79(85)81-51-67(25-39-87(81)97)45-75(55-93)71-29-33-73(34-30-71)77(57-95)47-69-27-41-89-83(53-69)84-54-70(28-42-90(84)99(89)61-64(12-6)20-15-9-3)48-78(58-96)74-35-31-72(32-36-74)76(56-94)46-68-26-40-88-82(52-68)80-50-66(22-17-44-92)24-38-86(80)98(88)60-63(11-5)19-14-8-2/h16-17,21-42,45-54,62-64H,7-15,18-20,59-61H2,1-6H3/b21-16+,22-17+,75-45+,76-46+,77-47+,78-48+
InChIKeyUZDGRYSOXNRUIU-YEUQYZNESA-N
XLogP23.99
TPSA157.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.73
LogP ≤ 523.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-[4-[(Z)-1-cyano-2-[4-[9-(2-ethylhexyl)-6-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]-2,5-dimethoxyphenyl]but-2-enenitrile
CID 158249822
3-(9-butylcarbazol-3-yl)prop-2-enenitrile
CID 174814508
9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
CID 100974240
2-[[10-(2,2-dicyanoethenyl)-7-(2-ethylhexyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]propanedinitrile
CID 167094852
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 67693947
2-[3-(2-cyanoethenyl)carbazol-9-yl]acetic acid
CID 76652102
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
[(Z)-1-[6-[5-[6-[(Z)-N-acetyloxy-C-methylcarbonimidoyl]-9-(2-ethylhexyl)carbazole-3-carbonyl]thiophene-2-carbonyl]-9-(2-ethylhexyl)carbazol-3-yl]ethylideneamino] acetate
CID 167244680
9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
CID 134388506
2-[(9-hexylcarbazol-3-yl)methylidene]propanedinitrile
CID 102047016

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile (CID 101085285) is (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile is CCCCC(CC)Cn1c2ccc(/C=C(\C#N)c3ccc(/C(C#N)=C/c4ccc5c(c4)c4cc(/C=C/C#N)ccc4n5CC(CC)CCCC)cc3)cc2c2cc(/C=C(\C#N)c3ccc(/C(C#N)=C/c4ccc5c(c4)c4cc(/C=C/C#N)ccc4n5CC(CC)CCCC)cc3)ccc21.
What is the InChIKey of (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile?
The InChIKey is UZDGRYSOXNRUIU-YEUQYZNESA-N. The full InChI is InChI=1S/C90H85N9/c1-7-13-18-62(10-4)59-97-85-37-23-65(21-16-43-91)49-79(85)81-51-67(25-39-87(81)97)45-75(55-93)71-29-33-73(34-30-71)77(57-95)47-69-27-41-89-83(53-69)84-54-70(28-42-90(84)99(89)61-64(12-6)20-15-9-3)48-78(58-96)74-35-31-72(32-36-74)76(56-94)46-68-26-40-88-82(52-68)80-50-66(22-17-44-92)24-38-86(80)98(88)60-63(11-5)19-14-8-2/h16-17,21-42,45-54,62-64H,7-15,18-20,59-61H2,1-6H3/b21-16+,22-17+,75-45+,76-46+,77-47+,78-48+.
What are the key properties of (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile?
(Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile has a molecular weight of 1292.73 g/mol, XLogP of 23.99, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[(Z)-1-cyano-2-[6-[(Z)-2-cyano-2-[4-[(Z)-1-cyano-2-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]ethenyl]-9-(2-ethylhexyl)carbazol-3-yl]ethenyl]phenyl]-3-[6-[(E)-2-cyanoethenyl]-9-(2-ethylhexyl)carbazol-3-yl]prop-2-enenitrile is sourced from PubChem (CID 101085285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).