14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene

C26H17N3S — CID 59358801

IUPAC14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
SMILESCc1cc2c3cc(-n4c5ccccc5c5ccccc54)ccc3n3nccc3c2s1
InChIInChI=1S/C26H17N3S/c1-16-14-21-20-15-17(10-11-24(20)29-25(12-13-27-29)26(21)30-16)28-22-8-4-2-6-18(22)19-7-3-5-9-23(19)28/h2-15H,1H3
InChIKeyGALWFNQOQUSBBP-UHFFFAOYSA-N
MW403.51 g/mol
LogP7.11
Rot. Bonds1

About 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene

14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene (PubChem CID 59358801) has the molecular formula C26H17N3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene.

Molecular Properties

Compound Name14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
PubChem CID59358801
Molecular FormulaC26H17N3S
Molecular Weight403.51 g/mol
Exact Mass403.11
IUPAC Name14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
SMILESCc1cc2c3cc(-n4c5ccccc5c5ccccc54)ccc3n3nccc3c2s1
InChIInChI=1S/C26H17N3S/c1-16-14-21-20-15-17(10-11-24(20)29-25(12-13-27-29)26(21)30-16)28-22-8-4-2-6-18(22)19-7-3-5-9-23(19)28/h2-15H,1H3
InChIKeyGALWFNQOQUSBBP-UHFFFAOYSA-N
XLogP7.11
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene with MolForge

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Related Compounds

6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine
CID 59358302
15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene
CID 59358984
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
6-[8-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]pyrazolo[1,5-f]phenanthridine
CID 59358679
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole
CID 144961499

Frequently Asked Questions

What is the IUPAC name of 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
The IUPAC name of 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene (CID 59358801) is 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene.
What is the SMILES notation for 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
The canonical SMILES for 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene is Cc1cc2c3cc(-n4c5ccccc5c5ccccc54)ccc3n3nccc3c2s1.
What is the InChIKey of 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
The InChIKey is GALWFNQOQUSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3S/c1-16-14-21-20-15-17(10-11-24(20)29-25(12-13-27-29)26(21)30-16)28-22-8-4-2-6-18(22)19-7-3-5-9-23(19)28/h2-15H,1H3.
What are the key properties of 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene has a molecular weight of 403.51 g/mol, XLogP of 7.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene is sourced from PubChem (CID 59358801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).