3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole

C74H46N2OS3 — CID 157198444

IUPAC3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole
SMILESCn1c2ccc(-c3cccc4c3sc3ccccc34)cc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)ccc21
InChIInChI=1S/C37H23NOS.C37H23NS2/c1-38-32-17-4-2-9-24(32)31-21-22(19-20-33(31)38)23-11-6-12-26-27-13-7-14-28(36(27)39-35(23)26)30-16-8-15-29-25-10-3-5-18-34(25)40-37(29)30;1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29/h2*2-21H,1H3
InChIKeyAQNDEKCNOXWWEH-UHFFFAOYSA-N
MW1075.40 g/mol
LogP22.33
Rot. Bonds4

About 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole

3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole (PubChem CID 157198444) has the molecular formula C74H46N2OS3 and a molecular weight of 1075.40 g/mol. Its IUPAC name is 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole.

Molecular Properties

Compound Name3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole
PubChem CID157198444
Molecular FormulaC74H46N2OS3
Molecular Weight1075.40 g/mol
Exact Mass1074.28
IUPAC Name3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole
SMILESCn1c2ccc(-c3cccc4c3sc3ccccc34)cc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)ccc21
InChIInChI=1S/C37H23NOS.C37H23NS2/c1-38-32-17-4-2-9-24(32)31-21-22(19-20-33(31)38)23-11-6-12-26-27-13-7-14-28(36(27)39-35(23)26)30-16-8-15-29-25-10-3-5-18-34(25)40-37(29)30;1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29/h2*2-21H,1H3
InChIKeyAQNDEKCNOXWWEH-UHFFFAOYSA-N
XLogP22.33
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.40
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
N-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phenyl]-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 126691240
9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
CID 134240267
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
8-[4-([1]Benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2-phenylchromen-4-one
CID 135252646
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841
N-dibenzothiophen-2-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716967

Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole?
The IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole (CID 157198444) is 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole.
What is the SMILES notation for 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole?
The canonical SMILES for 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole is Cn1c2ccc(-c3cccc4c3sc3ccccc34)cc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)ccc21.
What is the InChIKey of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole?
The InChIKey is AQNDEKCNOXWWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NOS.C37H23NS2/c1-38-32-17-4-2-9-24(32)31-21-22(19-20-33(31)38)23-11-6-12-26-27-13-7-14-28(36(27)39-35(23)26)30-16-8-15-29-25-10-3-5-18-34(25)40-37(29)30;1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29/h2*2-21H,1H3.
What are the key properties of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole?
3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole has a molecular weight of 1075.40 g/mol, XLogP of 22.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole is sourced from PubChem (CID 157198444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).