11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole

C42H25NOS — CID 90050891

IUPAC11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc3c2sc2cc4c5ccccc5n(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c4cc23)cc1
InChIInChI=1S/C42H25NOS/c1-2-9-27(10-3-1)30-13-8-14-33-36-24-38-34(25-41(36)45-42(30)33)31-11-4-6-15-37(31)43(38)29-20-17-26(18-21-29)28-19-22-40-35(23-28)32-12-5-7-16-39(32)44-40/h1-25H
InChIKeyMULNRWOERMVZKM-UHFFFAOYSA-N
MW591.74 g/mol
LogP12.39
Rot. Bonds3

About 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole

11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 90050891) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID90050891
Molecular FormulaC42H25NOS
Molecular Weight591.74 g/mol
Exact Mass591.17
IUPAC Name11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc3c2sc2cc4c5ccccc5n(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c4cc23)cc1
InChIInChI=1S/C42H25NOS/c1-2-9-27(10-3-1)30-13-8-14-33-36-24-38-34(25-41(36)45-42(30)33)31-11-4-6-15-37(31)43(38)29-20-17-26(18-21-29)28-19-22-40-35(23-28)32-12-5-7-16-39(32)44-40/h1-25H
InChIKeyMULNRWOERMVZKM-UHFFFAOYSA-N
XLogP12.39
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
3-dibenzofuran-2-yl-9-[1-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-yl]carbazole
CID 163711686
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole
CID 164950924
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole;9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-(4-dibenzofuran-2-ylphenyl)carbazole;3,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 160619262
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole (CID 90050891) is 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2cccc3c2sc2cc4c5ccccc5n(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c4cc23)cc1.
What is the InChIKey of 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is MULNRWOERMVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-2-9-27(10-3-1)30-13-8-14-33-36-24-38-34(25-41(36)45-42(30)33)31-11-4-6-15-37(31)43(38)29-20-17-26(18-21-29)28-19-22-40-35(23-28)32-12-5-7-16-39(32)44-40/h1-25H.
What are the key properties of 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole?
11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 591.74 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 90050891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).