9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole

C55H34N2OS — CID 134224720

IUPAC9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
SMILESC(=C(/c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccncc2)c1)c1ccc2c(c1)sc1ccccc12)\c1cccc2c1oc1ccccc12
InChIInChI=1S/C55H34N2OS/c1-5-16-50-42(11-1)43-12-2-6-17-51(43)57(50)40-24-20-35(21-25-40)41-26-22-37(32-49(41)36-28-30-56-31-29-36)48(38-23-27-46-45-14-4-8-19-53(45)59-54(46)34-38)33-39-10-9-15-47-44-13-3-7-18-52(44)58-55(39)47/h1-34H/b48-33-
InChIKeyOPIWGSHPFMLJRT-OJWMHLEFSA-N
MW770.96 g/mol
LogP15.37
Rot. Bonds6

About 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole

9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole (PubChem CID 134224720) has the molecular formula C55H34N2OS and a molecular weight of 770.96 g/mol. Its IUPAC name is 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
PubChem CID134224720
Molecular FormulaC55H34N2OS
Molecular Weight770.96 g/mol
Exact Mass770.24
IUPAC Name9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
SMILESC(=C(/c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccncc2)c1)c1ccc2c(c1)sc1ccccc12)\c1cccc2c1oc1ccccc12
InChIInChI=1S/C55H34N2OS/c1-5-16-50-42(11-1)43-12-2-6-17-51(43)57(50)40-24-20-35(21-25-40)41-26-22-37(32-49(41)36-28-30-56-31-29-36)48(38-23-27-46-45-14-4-8-19-53(45)59-54(46)34-38)33-39-10-9-15-47-44-13-3-7-18-52(44)58-55(39)47/h1-34H/b48-33-
InChIKeyOPIWGSHPFMLJRT-OJWMHLEFSA-N
XLogP15.37
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole (CID 134224720) is 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole is C(=C(/c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccncc2)c1)c1ccc2c(c1)sc1ccccc12)\c1cccc2c1oc1ccccc12.
What is the InChIKey of 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
The InChIKey is OPIWGSHPFMLJRT-OJWMHLEFSA-N. The full InChI is InChI=1S/C55H34N2OS/c1-5-16-50-42(11-1)43-12-2-6-17-51(43)57(50)40-24-20-35(21-25-40)41-26-22-37(32-49(41)36-28-30-56-31-29-36)48(38-23-27-46-45-14-4-8-19-53(45)59-54(46)34-38)33-39-10-9-15-47-44-13-3-7-18-52(44)58-55(39)47/h1-34H/b48-33-.
What are the key properties of 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole has a molecular weight of 770.96 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole is sourced from PubChem (CID 134224720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).