7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

C29H16N2S2 — CID 138640758

IUPAC7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
SMILESc1ccc2c(c1)sc1c2ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c21
InChIInChI=1S/C29H16N2S2/c1-4-10-22-17(7-1)18-8-2-5-11-23(18)31(22)29-28-21(15-16-30-29)26-25(33-28)14-13-20-19-9-3-6-12-24(19)32-27(20)26/h1-16H
InChIKeyJJFTZBDQIMHQNS-UHFFFAOYSA-N
MW456.60 g/mol
LogP8.91
Rot. Bonds1

About 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene (PubChem CID 138640758) has the molecular formula C29H16N2S2 and a molecular weight of 456.60 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene.

Molecular Properties

Compound Name7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
PubChem CID138640758
Molecular FormulaC29H16N2S2
Molecular Weight456.60 g/mol
Exact Mass456.08
IUPAC Name7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
SMILESc1ccc2c(c1)sc1c2ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c21
InChIInChI=1S/C29H16N2S2/c1-4-10-22-17(7-1)18-8-2-5-11-23(18)31(22)29-28-21(15-16-30-29)26-25(33-28)14-13-20-19-9-3-6-12-24(19)32-27(20)26/h1-16H
InChIKeyJJFTZBDQIMHQNS-UHFFFAOYSA-N
XLogP8.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene with MolForge

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Related Compounds

7-carbazol-9-yl-9,20-dithia-4,6-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640669
7-carbazol-9-yl-20-phenyl-9-thia-6,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640766
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
CID 155603041
1-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413726
3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
CID 146632237
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
9-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole
CID 164966731
1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 163693581
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082
1-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-6-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 147700149

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
The IUPAC name of 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene (CID 138640758) is 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene.
What is the SMILES notation for 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
The canonical SMILES for 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene is c1ccc2c(c1)sc1c2ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c21.
What is the InChIKey of 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
The InChIKey is JJFTZBDQIMHQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N2S2/c1-4-10-22-17(7-1)18-8-2-5-11-23(18)31(22)29-28-21(15-16-30-29)26-25(33-28)14-13-20-19-9-3-6-12-24(19)32-27(20)26/h1-16H.
What are the key properties of 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene has a molecular weight of 456.60 g/mol, XLogP of 8.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene is sourced from PubChem (CID 138640758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).