2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole

C43H25N3OS — CID 167453696

IUPAC2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6nc7ccc8oc9ccccc9c8c7s6)c5c4)cc32)cc1
InChIInChI=1S/C43H25N3OS/c1-2-10-28(11-3-1)45-35-15-7-4-12-29(35)31-20-18-26(24-37(31)45)27-19-21-32-30-13-5-8-16-36(30)46(38(32)25-27)43-44-34-22-23-40-41(42(34)48-43)33-14-6-9-17-39(33)47-40/h1-25H
InChIKeyKNWPBTZTJNTSTB-UHFFFAOYSA-N
MW631.76 g/mol
LogP12.06
Rot. Bonds3

About 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole

2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 167453696) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID167453696
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6nc7ccc8oc9ccccc9c8c7s6)c5c4)cc32)cc1
InChIInChI=1S/C43H25N3OS/c1-2-10-28(11-3-1)45-35-15-7-4-12-29(35)31-20-18-26(24-37(31)45)27-19-21-32-30-13-5-8-16-36(30)46(38(32)25-27)43-44-34-22-23-40-41(42(34)48-43)33-14-6-9-17-39(33)47-40/h1-25H
InChIKeyKNWPBTZTJNTSTB-UHFFFAOYSA-N
XLogP12.06
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole with MolForge

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Related Compounds

2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454496
2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453364
2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453165
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454050
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 167453696) is 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6nc7ccc8oc9ccccc9c8c7s6)c5c4)cc32)cc1.
What is the InChIKey of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is KNWPBTZTJNTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-2-10-28(11-3-1)45-35-15-7-4-12-29(35)31-20-18-26(24-37(31)45)27-19-21-32-30-13-5-8-16-36(30)46(38(32)25-27)43-44-34-22-23-40-41(42(34)48-43)33-14-6-9-17-39(33)47-40/h1-25H.
What are the key properties of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole?
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 631.76 g/mol, XLogP of 12.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167453696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).