4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C51H31N5S — CID 171591597

IUPAC4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c6c(ccc5n(-c5ccccc5)c34)sc3cccc(-n4c5ccccc5c5ccccc54)c36)n2)cc1
InChIInChI=1S/C51H31N5S/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-14-24-37-45-42(55(48(37)38)34-20-8-3-9-21-34)30-31-44-47(45)46-41(28-15-29-43(46)57-44)56-39-26-12-10-22-35(39)36-23-11-13-27-40(36)56/h1-31H
InChIKeyIMOULYKWVGSWJO-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.43
Rot. Bonds5

About 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 171591597) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID171591597
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c6c(ccc5n(-c5ccccc5)c34)sc3cccc(-n4c5ccccc5c5ccccc54)c36)n2)cc1
InChIInChI=1S/C51H31N5S/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-14-24-37-45-42(55(48(37)38)34-20-8-3-9-21-34)30-31-44-47(45)46-41(28-15-29-43(46)57-44)56-39-26-12-10-22-35(39)36-23-11-13-27-40(36)56/h1-31H
InChIKeyIMOULYKWVGSWJO-UHFFFAOYSA-N
XLogP13.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

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Related Compounds

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 171591732
9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807829
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874220
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874272
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
6-[9-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol
CID 174170575
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807762
12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 134169019
7-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 171591706

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 171591597) is 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c6c(ccc5n(-c5ccccc5)c34)sc3cccc(-n4c5ccccc5c5ccccc54)c36)n2)cc1.
What is the InChIKey of 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is IMOULYKWVGSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-14-24-37-45-42(55(48(37)38)34-20-8-3-9-21-34)30-31-44-47(45)46-41(28-15-29-43(46)57-44)56-39-26-12-10-22-35(39)36-23-11-13-27-40(36)56/h1-31H.
What are the key properties of 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 745.91 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 171591597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).