14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

C32H21NS2 — CID 163578409

IUPAC14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
SMILESCC12C=CC=CC1c1ccccc1-c1cc(-c3ccc4sc5sc6cccnc6c5c4c3)ccc12
InChIInChI=1S/C32H21NS2/c1-32-15-5-4-9-25(32)22-8-3-2-7-21(22)23-17-19(11-13-26(23)32)20-12-14-27-24(18-20)29-30-28(10-6-16-33-30)35-31(29)34-27/h2-18,25H,1H3
InChIKeyGFMQQOBWIKOHSE-UHFFFAOYSA-N
MW483.66 g/mol
LogP9.48
Rot. Bonds1

About 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (PubChem CID 163578409) has the molecular formula C32H21NS2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.

Molecular Properties

Compound Name14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
PubChem CID163578409
Molecular FormulaC32H21NS2
Molecular Weight483.66 g/mol
Exact Mass483.11
IUPAC Name14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
SMILESCC12C=CC=CC1c1ccccc1-c1cc(-c3ccc4sc5sc6cccnc6c5c4c3)ccc12
InChIInChI=1S/C32H21NS2/c1-32-15-5-4-9-25(32)22-8-3-2-7-21(22)23-17-19(11-13-26(23)32)20-12-14-27-24(18-20)29-30-28(10-6-16-33-30)35-31(29)34-27/h2-18,25H,1H3
InChIKeyGFMQQOBWIKOHSE-UHFFFAOYSA-N
XLogP9.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene with MolForge

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Related Compounds

4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene
CID 163439998
9a-methyl-9-methylidene-4aH-fluorene
CID 144629603
4-[3-[1-[4-(4b-methyl-8aH-triphenylen-2-yl)phenyl]-3-methyl-3,4-dihydronaphthalen-2-yl]phenyl]-2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 155416627
2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565407
3-(4b,8a-dihydrotriphenylen-2-yl)-[1]benzothiolo[2,3-b]pyridine
CID 147001662
8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
CID 134529399
8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
CID 90250479
2,4-diphenyl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 156734871
6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
CID 129023545
CID 129023545
[1]benzothiolo[3,2-b]pyridine
CID 174218515

Frequently Asked Questions

What is the IUPAC name of 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
The IUPAC name of 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (CID 163578409) is 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.
What is the SMILES notation for 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
The canonical SMILES for 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is CC12C=CC=CC1c1ccccc1-c1cc(-c3ccc4sc5sc6cccnc6c5c4c3)ccc12.
What is the InChIKey of 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
The InChIKey is GFMQQOBWIKOHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NS2/c1-32-15-5-4-9-25(32)22-8-3-2-7-21(22)23-17-19(11-13-26(23)32)20-12-14-27-24(18-20)29-30-28(10-6-16-33-30)35-31(29)34-27/h2-18,25H,1H3.
What are the key properties of 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene has a molecular weight of 483.66 g/mol, XLogP of 9.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is sourced from PubChem (CID 163578409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).