4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C55H46N4 — CID 167228450

IUPAC4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESC=Cc1c(/C=C\C)c2cc(-c3c(C)cc(C)cc3C)ccc2n1-c1cnc(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C55H46N4/c1-9-13-43-46-28-41(54-35(5)24-33(3)25-36(54)6)20-22-50(46)58(48(43)10-2)52-32-57-53(30-45(52)40-18-16-39(31-56)17-19-40)59-49-15-12-11-14-44(49)47-29-42(21-23-51(47)59)55-37(7)26-34(4)27-38(55)8/h9-30,32H,2H2,1,3-8H3/b13-9-
InChIKeyABIHEEBRRJJGIB-LCYFTJDESA-N
MW763.00 g/mol
LogP14.52
Rot. Bonds7

About 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 167228450) has the molecular formula C55H46N4 and a molecular weight of 763.00 g/mol. Its IUPAC name is 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID167228450
Molecular FormulaC55H46N4
Molecular Weight763.00 g/mol
Exact Mass762.37
IUPAC Name4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESC=Cc1c(/C=C\C)c2cc(-c3c(C)cc(C)cc3C)ccc2n1-c1cnc(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C55H46N4/c1-9-13-43-46-28-41(54-35(5)24-33(3)25-36(54)6)20-22-50(46)58(48(43)10-2)52-32-57-53(30-45(52)40-18-16-39(31-56)17-19-40)59-49-15-12-11-14-44(49)47-29-42(21-23-51(47)59)55-37(7)26-34(4)27-38(55)8/h9-30,32H,2H2,1,3-8H3/b13-9-
InChIKeyABIHEEBRRJJGIB-LCYFTJDESA-N
XLogP14.52
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
9-[9-[4-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-6-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-3-yl]carbazole-3-carbonitrile
CID 155022535
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146546450
2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
CID 167006494
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086269
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 167228450) is 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is C=Cc1c(/C=C\C)c2cc(-c3c(C)cc(C)cc3C)ccc2n1-c1cnc(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is ABIHEEBRRJJGIB-LCYFTJDESA-N. The full InChI is InChI=1S/C55H46N4/c1-9-13-43-46-28-41(54-35(5)24-33(3)25-36(54)6)20-22-50(46)58(48(43)10-2)52-32-57-53(30-45(52)40-18-16-39(31-56)17-19-40)59-49-15-12-11-14-44(49)47-29-42(21-23-51(47)59)55-37(7)26-34(4)27-38(55)8/h9-30,32H,2H2,1,3-8H3/b13-9-.
What are the key properties of 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 763.00 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylphenyl)indol-1-yl]-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 167228450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).