9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole

C66H45N3 — CID 138491975

IUPAC9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
SMILESC(=C/n1c2ccccc2c2ccccc21)\c1ccc(-c2cc(-c3ccc(/C=C/n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(/C=C/n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C66H45N3/c1-7-19-61-55(13-1)56-14-2-8-20-62(56)67(61)40-37-46-25-31-49(32-26-46)52-43-53(50-33-27-47(28-34-50)38-41-68-63-21-9-3-15-57(63)58-16-4-10-22-64(58)68)45-54(44-52)51-35-29-48(30-36-51)39-42-69-65-23-11-5-17-59(65)60-18-6-12-24-66(60)69/h1-45H/b40-37+,41-38+,42-39+
InChIKeyRSRQLNPADXWJKD-FHJKABMISA-N
MW880.11 g/mol
LogP17.90
Rot. Bonds9

About 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole

9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole (PubChem CID 138491975) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
PubChem CID138491975
Molecular FormulaC66H45N3
Molecular Weight880.11 g/mol
Exact Mass879.36
IUPAC Name9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
SMILESC(=C/n1c2ccccc2c2ccccc21)\c1ccc(-c2cc(-c3ccc(/C=C/n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(/C=C/n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C66H45N3/c1-7-19-61-55(13-1)56-14-2-8-20-62(56)67(61)40-37-46-25-31-49(32-26-46)52-43-53(50-33-27-47(28-34-50)38-41-68-63-21-9-3-15-57(63)58-16-4-10-22-64(58)68)45-54(44-52)51-35-29-48(30-36-51)39-42-69-65-23-11-5-17-59(65)60-18-6-12-24-66(60)69/h1-45H/b40-37+,41-38+,42-39+
InChIKeyRSRQLNPADXWJKD-FHJKABMISA-N
XLogP17.90
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
CID 118404920
9-(2-phenylethenyl)carbazole
CID 3728958
9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole
CID 155666003
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole
CID 164577679
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
CID 164577680
1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene
CID 11614249
9-[(Z)-2-[4-[3,5-bis[(E)-3-diphenylphosphorylprop-1-enyl]phenyl]phenyl]ethenyl]carbazole;9-[(E)-2-[3-(2-carbazol-9-ium-9-ylideneethyl)-5-[4-[(E)-3-diphenylphosphorylprop-1-enyl]phenyl]phenyl]ethenyl]carbazole;9-[(E)-2-[3-[(E)-3-diphenylphosphorylprop-1-enyl]-5-[4-[(E)-3-diphenylphosphorylprop-1-enyl]phenyl]phenyl]ethenyl]carbazole
CID 159988377
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
CID 173162246
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole
CID 53235575
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole?
The IUPAC name of 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole (CID 138491975) is 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole?
The canonical SMILES for 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole is C(=C/n1c2ccccc2c2ccccc21)\c1ccc(-c2cc(-c3ccc(/C=C/n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(/C=C/n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole?
The InChIKey is RSRQLNPADXWJKD-FHJKABMISA-N. The full InChI is InChI=1S/C66H45N3/c1-7-19-61-55(13-1)56-14-2-8-20-62(56)67(61)40-37-46-25-31-49(32-26-46)52-43-53(50-33-27-47(28-34-50)38-41-68-63-21-9-3-15-57(63)58-16-4-10-22-64(58)68)45-54(44-52)51-35-29-48(30-36-51)39-42-69-65-23-11-5-17-59(65)60-18-6-12-24-66(60)69/h1-45H/b40-37+,41-38+,42-39+.
What are the key properties of 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole?
9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole has a molecular weight of 880.11 g/mol, XLogP of 17.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 138491975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).