2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole

C41H23N3OS — CID 167453937

IUPAC2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESc1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc2c(ccc3oc4ccccc4c32)s1
InChIInChI=1S/C41H23N3OS/c1-2-10-26-24(9-1)17-19-34-38(26)30-23-25(43-31-14-6-3-11-27(31)28-12-4-7-15-32(28)43)18-20-33(30)44(34)41-42-40-37(46-41)22-21-36-39(40)29-13-5-8-16-35(29)45-36/h1-23H
InChIKeyFGQMKVHNLCQGCI-UHFFFAOYSA-N
MW605.72 g/mol
LogP11.54
Rot. Bonds2

About 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole

2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole (PubChem CID 167453937) has the molecular formula C41H23N3OS and a molecular weight of 605.72 g/mol. Its IUPAC name is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole
PubChem CID167453937
Molecular FormulaC41H23N3OS
Molecular Weight605.72 g/mol
Exact Mass605.16
IUPAC Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESc1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc2c(ccc3oc4ccccc4c32)s1
InChIInChI=1S/C41H23N3OS/c1-2-10-26-24(9-1)17-19-34-38(26)30-23-25(43-31-14-6-3-11-27(31)28-12-4-7-15-32(28)43)18-20-33(30)44(34)41-42-40-37(46-41)22-21-36-39(40)29-13-5-8-16-35(29)45-36/h1-23H
InChIKeyFGQMKVHNLCQGCI-UHFFFAOYSA-N
XLogP11.54
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole with MolForge

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Related Compounds

2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167453997
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 155485483
2-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167453830
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 174338751
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine
CID 155485481
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
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174338571
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)
CID 162127343
10-carbazol-9-yl-7-iodobenzo[c]carbazole
CID 163563060
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]benzothiolo[3,2-e][1,3]benzothiazole
CID 167453282

Frequently Asked Questions

What is the IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole (CID 167453937) is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole is c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc2c(ccc3oc4ccccc4c32)s1.
What is the InChIKey of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole?
The InChIKey is FGQMKVHNLCQGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3OS/c1-2-10-26-24(9-1)17-19-34-38(26)30-23-25(43-31-14-6-3-11-27(31)28-12-4-7-15-32(28)43)18-20-33(30)44(34)41-42-40-37(46-41)22-21-36-39(40)29-13-5-8-16-35(29)45-36/h1-23H.
What are the key properties of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole?
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole has a molecular weight of 605.72 g/mol, XLogP of 11.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 167453937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).