5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole

C42H25N3S — CID 139361418

IUPAC5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)sc4ccccc45)c(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1
InChIInChI=1S/C42H25N3S/c1-2-10-26(11-3-1)29-19-21-35-36(23-29)44-42(41(43-35)30-18-20-33-32-15-7-9-17-39(32)46-40(33)25-30)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)24-38(34)45/h1-25H
InChIKeySQYMLOAGBFENHQ-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.58
Rot. Bonds3

About 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole

5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 139361418) has the molecular formula C42H25N3S and a molecular weight of 603.75 g/mol. Its IUPAC name is 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID139361418
Molecular FormulaC42H25N3S
Molecular Weight603.75 g/mol
Exact Mass603.18
IUPAC Name5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)sc4ccccc45)c(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1
InChIInChI=1S/C42H25N3S/c1-2-10-26(11-3-1)29-19-21-35-36(23-29)44-42(41(43-35)30-18-20-33-32-15-7-9-17-39(32)46-40(33)25-30)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)24-38(34)45/h1-25H
InChIKeySQYMLOAGBFENHQ-UHFFFAOYSA-N
XLogP11.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzo[b]carbazol-5-yl-2,7-diphenyl-[1]benzothiolo[2,3-b]pyrazine
CID 137433490
5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361804
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
5-(7-dibenzothiophen-4-yl-3,6-diphenylquinoxalin-2-yl)-3-naphthalen-2-ylbenzo[b]carbazole;5-[3,7-diphenyl-6-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3-phenylbenzo[b]carbazole;5-[3,6-diphenyl-7-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3-(4-phenylphenyl)benzo[b]carbazole
CID 161023733
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
11,12-bis(3,6-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole;11,12-bis(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
CID 161396735
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163688928
5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
CID 146540047
2-benzo[b]carbazol-5-yl-3-phenanthren-3-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146181623
1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114249

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole (CID 139361418) is 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole is c1ccc(-c2ccc3nc(-c4ccc5c(c4)sc4ccccc45)c(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1.
What is the InChIKey of 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is SQYMLOAGBFENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S/c1-2-10-26(11-3-1)29-19-21-35-36(23-29)44-42(41(43-35)30-18-20-33-32-15-7-9-17-39(32)46-40(33)25-30)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)24-38(34)45/h1-25H.
What are the key properties of 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole?
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole has a molecular weight of 603.75 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).