2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole

C43H25N3OS — CID 144543387

IUPAC2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3-c3ccc4oc5ccc6c7ccccc7[nH]c6c5c4c3)n[nH]c2c1
InChIInChI=1S/C43H25N3OS/c1-4-13-35-27(8-1)29-19-21-38-40(42(29)44-35)34-23-25(17-20-37(34)47-38)33-22-24(16-18-30(33)41-32-10-2-5-14-36(32)45-46-41)26-11-7-12-31-28-9-3-6-15-39(28)48-43(26)31/h1-23,44H,(H,45,46)
InChIKeyLEXORYFCOJQZJL-UHFFFAOYSA-N
MW631.76 g/mol
LogP12.47
Rot. Bonds3

About 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole

2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole (PubChem CID 144543387) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole
PubChem CID144543387
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3-c3ccc4oc5ccc6c7ccccc7[nH]c6c5c4c3)n[nH]c2c1
InChIInChI=1S/C43H25N3OS/c1-4-13-35-27(8-1)29-19-21-38-40(42(29)44-35)34-23-25(17-20-37(34)47-38)33-22-24(16-18-30(33)41-32-10-2-5-14-36(32)45-46-41)26-11-7-12-31-28-9-3-6-15-39(28)48-43(26)31/h1-23,44H,(H,45,46)
InChIKeyLEXORYFCOJQZJL-UHFFFAOYSA-N
XLogP12.47
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 512.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine
CID 163622130
2-(9-Dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole
CID 58511013
3-(9-Dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole
CID 58511030
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]aniline
CID 68037336
N-(4-dibenzothiophen-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 68037392
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline
CID 88567766
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline
CID 88567796
N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 89491962
N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 89492114
3-[4-(1-Benzothiophen-7-yl)-1,2-dihydropyridin-6-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 89609779
5-[3-(3,4-Dihydrodibenzothiophen-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 89711117
7-(3-Dibenzothiophen-4-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]carbazole
CID 89711159

Frequently Asked Questions

What is the IUPAC name of 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole (CID 144543387) is 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole is c1ccc2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3-c3ccc4oc5ccc6c7ccccc7[nH]c6c5c4c3)n[nH]c2c1.
What is the InChIKey of 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole?
The InChIKey is LEXORYFCOJQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-4-13-35-27(8-1)29-19-21-38-40(42(29)44-35)34-23-25(17-20-37(34)47-38)33-22-24(16-18-30(33)41-32-10-2-5-14-36(32)45-46-41)26-11-7-12-31-28-9-3-6-15-39(28)48-43(26)31/h1-23,44H,(H,45,46).
What are the key properties of 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole?
2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole has a molecular weight of 631.76 g/mol, XLogP of 12.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-dibenzothiophen-4-yl-2-(1H-indazol-3-yl)phenyl]-12H-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 144543387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).