2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole

C41H26N2OS — CID 167453195

IUPAC2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccc(C5Nc6ccc7oc8ccccc8c7c6S5)cc4)c3c3ccccc23)cc1
InChIInChI=1S/C41H26N2OS/c1-2-10-25(11-3-1)32-24-33-29-13-6-8-16-35(29)43(39(33)30-14-5-4-12-28(30)32)27-20-18-26(19-21-27)41-42-34-22-23-37-38(40(34)45-41)31-15-7-9-17-36(31)44-37/h1-24,41-42H
InChIKeyVSBRPBJPMVSSLN-UHFFFAOYSA-N
MW594.74 g/mol
LogP11.72
Rot. Bonds3

About 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole

2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 167453195) has the molecular formula C41H26N2OS and a molecular weight of 594.74 g/mol. Its IUPAC name is 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID167453195
Molecular FormulaC41H26N2OS
Molecular Weight594.74 g/mol
Exact Mass594.18
IUPAC Name2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccc(C5Nc6ccc7oc8ccccc8c7c6S5)cc4)c3c3ccccc23)cc1
InChIInChI=1S/C41H26N2OS/c1-2-10-25(11-3-1)32-24-33-29-13-6-8-16-35(29)43(39(33)30-14-5-4-12-28(30)32)27-20-18-26(19-21-27)41-42-34-22-23-37-38(40(34)45-41)31-15-7-9-17-36(31)44-37/h1-24,41-42H
InChIKeyVSBRPBJPMVSSLN-UHFFFAOYSA-N
XLogP11.72
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 511.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole with MolForge

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Related Compounds

2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167454006
5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454078
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
23-(4-phenylphenyl)-14-oxa-23-azaheptacyclo[19.11.0.02,7.08,13.015,20.022,30.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22(30),24,26,28,31-pentadecaene
CID 118614797
19-dibenzofuran-2-yl-9-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163206
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
CID 172524299
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 167453195) is 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole is c1ccc(-c2cc3c4ccccc4n(-c4ccc(C5Nc6ccc7oc8ccccc8c7c6S5)cc4)c3c3ccccc23)cc1.
What is the InChIKey of 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is VSBRPBJPMVSSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2OS/c1-2-10-25(11-3-1)32-24-33-29-13-6-8-16-35(29)43(39(33)30-14-5-4-12-28(30)32)27-20-18-26(19-21-27)41-42-34-22-23-37-38(40(34)45-41)31-15-7-9-17-36(31)44-37/h1-24,41-42H.
What are the key properties of 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 594.74 g/mol, XLogP of 11.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167453195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).