10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene

C31H19N3S — CID 59359311

IUPAC10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene
SMILESc1cc(-c2scc3c2c2ccccc2n2ccnc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3S/c1-5-14-27-22(10-1)23-11-2-6-15-28(23)34(27)21-9-7-8-20(18-21)30-29-24-12-3-4-13-26(24)33-17-16-32-31(33)25(29)19-35-30/h1-19H
InChIKeyRFBLFPRCJSVJGT-UHFFFAOYSA-N
MW465.58 g/mol
LogP8.47
Rot. Bonds2

About 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene

10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene (PubChem CID 59359311) has the molecular formula C31H19N3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene
PubChem CID59359311
Molecular FormulaC31H19N3S
Molecular Weight465.58 g/mol
Exact Mass465.13
IUPAC Name10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene
SMILESc1cc(-c2scc3c2c2ccccc2n2ccnc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3S/c1-5-14-27-22(10-1)23-11-2-6-15-28(23)34(27)21-9-7-8-20(18-21)30-29-24-12-3-4-13-26(24)33-17-16-32-31(33)25(29)19-35-30/h1-19H
InChIKeyRFBLFPRCJSVJGT-UHFFFAOYSA-N
XLogP8.47
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene with MolForge

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Related Compounds

16-(3-carbazol-9-ylphenyl)-10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 59359197
9-phenylimidazo[1,2-f]phenanthridine
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9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
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9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
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9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
4,5-diphenylimidazo[1,2-a]quinoline
CID 135058439
18,28-diphenyl-5,8,12,18,28-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene
CID 157379128
9-[3-(1,3,5-triazin-2-yl)phenyl]carbazole
CID 166831150
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 102416966
9-[3-(3-carbazol-9-ylphenyl)phenyl]-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-nonaene
CID 134168669
9-phenyl-9,15,18,22-tetrazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,14,16,19(24),20,22-undecaene
CID 157242233

Frequently Asked Questions

What is the IUPAC name of 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene?
The IUPAC name of 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene (CID 59359311) is 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene?
The canonical SMILES for 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene is c1cc(-c2scc3c2c2ccccc2n2ccnc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene?
The InChIKey is RFBLFPRCJSVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3S/c1-5-14-27-22(10-1)23-11-2-6-15-28(23)34(27)21-9-7-8-20(18-21)30-29-24-12-3-4-13-26(24)33-17-16-32-31(33)25(29)19-35-30/h1-19H.
What are the key properties of 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene?
10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene has a molecular weight of 465.58 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 59359311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).