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

C28H15N3S2 — CID 138640669

IUPAC7-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
SMILESc1ccc2c(c1)sc1c2ccc2sc3c(-n4c5ccccc5c5ccccc54)ncnc3c21
InChIInChI=1S/C28H15N3S2/c1-4-10-20-16(7-1)17-8-2-5-11-21(17)31(20)28-27-25(29-15-30-28)24-23(33-27)14-13-19-18-9-3-6-12-22(18)32-26(19)24/h1-15H
InChIKeyYOIWQSJFYJLPSP-UHFFFAOYSA-N
MW457.58 g/mol
LogP8.31
Rot. Bonds1

About 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

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 (PubChem CID 138640669) has the molecular formula C28H15N3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID138640669
Molecular FormulaC28H15N3S2
Molecular Weight457.58 g/mol
Exact Mass457.07
IUPAC Name7-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
SMILESc1ccc2c(c1)sc1c2ccc2sc3c(-n4c5ccccc5c5ccccc54)ncnc3c21
InChIInChI=1S/C28H15N3S2/c1-4-10-20-16(7-1)17-8-2-5-11-21(17)31(20)28-27-25(29-15-30-28)24-23(33-27)14-13-19-18-9-3-6-12-22(18)32-26(19)24/h1-15H
InChIKeyYOIWQSJFYJLPSP-UHFFFAOYSA-N
XLogP8.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138639571
20-dibenzothiophen-4-yl-9-thia-4,6,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 138640080
4-(21-dibenzothiophen-4-yl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155082160
4-[14-[4-(3-phenylphenyl)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-nonaen-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 122598874
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
4-carbazol-9-yl-8-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129291441
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
9-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)carbazole
CID 146664194
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane
CID 170681776
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)sc1c2ccc2sc3c(-n4c5ccccc5c5ccccc54)ncnc3c21.
What is the InChIKey of 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?
The InChIKey is YOIWQSJFYJLPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15N3S2/c1-4-10-20-16(7-1)17-8-2-5-11-21(17)31(20)28-27-25(29-15-30-28)24-23(33-27)14-13-19-18-9-3-6-12-22(18)32-26(19)24/h1-15H.
What are the key properties of 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?
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 has a molecular weight of 457.58 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138640669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).