6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C50H28N6OS — CID 58099690

IUPAC6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-c2cncc3c2sc2c(-n4c5ccccc5c5ccccc54)cncc23)c(-c2cccc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)c1
InChIInChI=1S/C50H28N6OS/c1-2-11-31(37-25-51-26-38-39-27-52-28-44(50(39)58-49(37)38)56-40-16-5-3-12-32(40)33-13-4-6-17-41(33)56)30(10-1)34-14-7-15-35-36-24-29(20-21-45(36)57-48(34)35)55-42-18-8-22-53-46(42)47-43(55)19-9-23-54-47/h1-28H
InChIKeyUMZMCBRLKOIDLR-UHFFFAOYSA-N
MW760.88 g/mol
LogP13.06
Rot. Bonds4

About 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 58099690) has the molecular formula C50H28N6OS and a molecular weight of 760.88 g/mol. Its IUPAC name is 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID58099690
Molecular FormulaC50H28N6OS
Molecular Weight760.88 g/mol
Exact Mass760.20
IUPAC Name6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-c2cncc3c2sc2c(-n4c5ccccc5c5ccccc54)cncc23)c(-c2cccc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)c1
InChIInChI=1S/C50H28N6OS/c1-2-11-31(37-25-51-26-38-39-27-52-28-44(50(39)58-49(37)38)56-40-16-5-3-12-32(40)33-13-4-6-17-41(33)56)30(10-1)34-14-7-15-35-36-24-29(20-21-45(36)57-48(34)35)55-42-18-8-22-53-46(42)47-43(55)19-9-23-54-47/h1-28H
InChIKeyUMZMCBRLKOIDLR-UHFFFAOYSA-N
XLogP13.06
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 58099690) is 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-c2cncc3c2sc2c(-n4c5ccccc5c5ccccc54)cncc23)c(-c2cccc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)c1.
What is the InChIKey of 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is UMZMCBRLKOIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6OS/c1-2-11-31(37-25-51-26-38-39-27-52-28-44(50(39)58-49(37)38)56-40-16-5-3-12-32(40)33-13-4-6-17-41(33)56)30(10-1)34-14-7-15-35-36-24-29(20-21-45(36)57-48(34)35)55-42-18-8-22-53-46(42)47-43(55)19-9-23-54-47/h1-28H.
What are the key properties of 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 760.88 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 58099690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).