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

C54H34N2OS — CID 134182619

IUPAC9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1c(C(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c(-c4ccncc4)c3)c3ccc4c(c3)sc3ccccc34)cccc12
InChIInChI=1S/C54H34N2OS/c1-5-16-48-40(10-1)41-11-2-6-17-49(41)56(48)38-24-20-34(21-25-38)39-26-22-36(32-47(39)35-28-30-55-31-29-35)53(37-23-27-44-43-13-4-8-19-51(43)58-52(44)33-37)46-15-9-14-45-42-12-3-7-18-50(42)57-54(45)46/h1-33,53H
InChIKeyNDXBIHCXBXIGMP-UHFFFAOYSA-N
MW758.95 g/mol
LogP14.96
Rot. Bonds6

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

9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole (PubChem CID 134182619) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
PubChem CID134182619
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1c(C(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c(-c4ccncc4)c3)c3ccc4c(c3)sc3ccccc34)cccc12
InChIInChI=1S/C54H34N2OS/c1-5-16-48-40(10-1)41-11-2-6-17-49(41)56(48)38-24-20-34(21-25-38)39-26-22-36(32-47(39)35-28-30-55-31-29-35)53(37-23-27-44-43-13-4-8-19-51(43)58-52(44)33-37)46-15-9-14-45-42-12-3-7-18-50(42)57-54(45)46/h1-33,53H
InChIKeyNDXBIHCXBXIGMP-UHFFFAOYSA-N
XLogP14.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole (CID 134182619) is 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole is c1ccc2c(c1)oc1c(C(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c(-c4ccncc4)c3)c3ccc4c(c3)sc3ccccc34)cccc12.
What is the InChIKey of 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
The InChIKey is NDXBIHCXBXIGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-5-16-48-40(10-1)41-11-2-6-17-49(41)56(48)38-24-20-34(21-25-38)39-26-22-36(32-47(39)35-28-30-55-31-29-35)53(37-23-27-44-43-13-4-8-19-51(43)58-52(44)33-37)46-15-9-14-45-42-12-3-7-18-50(42)57-54(45)46/h1-33,53H.
What are the key properties of 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole?
9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole has a molecular weight of 758.95 g/mol, XLogP of 14.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[dibenzofuran-4-yl(dibenzothiophen-3-yl)methyl]-2-pyridin-4-ylphenyl]phenyl]carbazole is sourced from PubChem (CID 134182619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).