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

C35H21N3S — CID 138640766

IUPAC7-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
SMILESc1ccc(-n2c3ccccc3c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nccc5c4c32)cc1
InChIInChI=1S/C35H21N3S/c1-2-10-22(11-3-1)37-28-15-7-6-14-25(28)26-18-19-31-32(33(26)37)27-20-21-36-35(34(27)39-31)38-29-16-8-4-12-23(29)24-13-5-9-17-30(24)38/h1-21H
InChIKeyLACGCIHZOGNCEW-UHFFFAOYSA-N
MW515.64 g/mol
LogP9.64
Rot. Bonds2

About 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

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 (PubChem CID 138640766) has the molecular formula C35H21N3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID138640766
Molecular FormulaC35H21N3S
Molecular Weight515.64 g/mol
Exact Mass515.15
IUPAC Name7-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
SMILESc1ccc(-n2c3ccccc3c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nccc5c4c32)cc1
InChIInChI=1S/C35H21N3S/c1-2-10-22(11-3-1)37-28-15-7-6-14-25(28)26-18-19-31-32(33(26)37)27-20-21-36-35(34(27)39-31)38-29-16-8-4-12-23(29)24-13-5-9-17-30(24)38/h1-21H
InChIKeyLACGCIHZOGNCEW-UHFFFAOYSA-N
XLogP9.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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
4-phenyl-18-(4-phenylphenyl)-15-thia-4,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 163823936
3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
4-phenyl-18-(4-phenylnaphthalen-1-yl)-15-thia-4,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 163643729
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
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
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
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-3-pyridinyl]-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 167403974
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
7-carbazol-9-yl-23-phenyl-3-thia-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 118545733
22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 118602444
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nccc5c4c32)cc1.
What is the InChIKey of 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?
The InChIKey is LACGCIHZOGNCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S/c1-2-10-22(11-3-1)37-28-15-7-6-14-25(28)26-18-19-31-32(33(26)37)27-20-21-36-35(34(27)39-31)38-29-16-8-4-12-23(29)24-13-5-9-17-30(24)38/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 515.64 g/mol, XLogP of 9.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138640766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).