3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole

C53H32N2OS — CID 168768114

IUPAC3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C53H32N2OS/c1-3-12-33(13-4-1)37-30-45(36-22-25-41-40-17-8-10-20-49(40)56-50(41)32-36)54-46(31-37)42-18-11-21-52-53(42)44-29-35(24-27-51(44)57-52)34-23-26-48-43(28-34)39-16-7-9-19-47(39)55(48)38-14-5-2-6-15-38/h1-32H
InChIKeySNTBTFRTCQCHJB-UHFFFAOYSA-N
MW744.92 g/mol
LogP15.11
Rot. Bonds5

About 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole

3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 168768114) has the molecular formula C53H32N2OS and a molecular weight of 744.92 g/mol. Its IUPAC name is 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID168768114
Molecular FormulaC53H32N2OS
Molecular Weight744.92 g/mol
Exact Mass744.22
IUPAC Name3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C53H32N2OS/c1-3-12-33(13-4-1)37-30-45(36-22-25-41-40-17-8-10-20-49(40)56-50(41)32-36)54-46(31-37)42-18-11-21-52-53(42)44-29-35(24-27-51(44)57-52)34-23-26-48-43(28-34)39-16-7-9-19-47(39)55(48)38-14-5-2-6-15-38/h1-32H
InChIKeySNTBTFRTCQCHJB-UHFFFAOYSA-N
XLogP15.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768597
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768728
3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168768511
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768603
3-[7-(4,6-diphenyl-2-pyridinyl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163917513
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768798
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768203
9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 168768588
3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160972461

Frequently Asked Questions

What is the IUPAC name of 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole (CID 168768114) is 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)c2)cc1.
What is the InChIKey of 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is SNTBTFRTCQCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2OS/c1-3-12-33(13-4-1)37-30-45(36-22-25-41-40-17-8-10-20-49(40)56-50(41)32-36)54-46(31-37)42-18-11-21-52-53(42)44-29-35(24-27-51(44)57-52)34-23-26-48-43(28-34)39-16-7-9-19-47(39)55(48)38-14-5-2-6-15-38/h1-32H.
What are the key properties of 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 744.92 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).