6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide

C42H25NO3S — CID 134428408

IUPAC6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-c1ccccc1-3
InChIInChI=1S/C42H25NO3S/c44-47(45)40-23-10-9-22-38(40)46-39-24-33-28-14-2-1-12-26(28)27-13-3-4-17-31(27)42-32(34(33)25-41(39)47)18-11-21-37(42)43-35-19-7-5-15-29(35)30-16-6-8-20-36(30)43/h1-25H/b27-26-,33-28-,34-32-,42-31+
InChIKeyDQPHEUYJIBYOSU-NVTDLNRASA-N
MW623.73 g/mol
LogP10.70
Rot. Bonds1

About 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide

6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide (PubChem CID 134428408) has the molecular formula C42H25NO3S and a molecular weight of 623.73 g/mol. Its IUPAC name is 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide.

Molecular Properties

Compound Name6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide
PubChem CID134428408
Molecular FormulaC42H25NO3S
Molecular Weight623.73 g/mol
Exact Mass623.16
IUPAC Name6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-c1ccccc1-3
InChIInChI=1S/C42H25NO3S/c44-47(45)40-23-10-9-22-38(40)46-39-24-33-28-14-2-1-12-26(28)27-13-3-4-17-31(27)42-32(34(33)25-41(39)47)18-11-21-37(42)43-35-19-7-5-15-29(35)30-16-6-8-20-36(30)43/h1-25H/b27-26-,33-28-,34-32-,42-31+
InChIKeyDQPHEUYJIBYOSU-NVTDLNRASA-N
XLogP10.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.73
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
The IUPAC name of 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide (CID 134428408) is 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide.
What is the SMILES notation for 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
The canonical SMILES for 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide is O=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-c1ccccc1-3.
What is the InChIKey of 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
The InChIKey is DQPHEUYJIBYOSU-NVTDLNRASA-N. The full InChI is InChI=1S/C42H25NO3S/c44-47(45)40-23-10-9-22-38(40)46-39-24-33-28-14-2-1-12-26(28)27-13-3-4-17-31(27)42-32(34(33)25-41(39)47)18-11-21-37(42)43-35-19-7-5-15-29(35)30-16-6-8-20-36(30)43/h1-25H/b27-26-,33-28-,34-32-,42-31+.
What are the key properties of 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide has a molecular weight of 623.73 g/mol, XLogP of 10.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide is sourced from PubChem (CID 134428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).