10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide

C42H25NO3S — CID 134428409

IUPAC10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-c1ccccc1-3
InChIInChI=1S/C42H25NO3S/c44-47(45)41-20-10-9-19-39(41)46-40-24-35-28-12-2-1-11-27(28)31-22-21-26(23-34(31)29-13-3-4-14-30(29)36(35)25-42(40)47)43-37-17-7-5-15-32(37)33-16-6-8-18-38(33)43/h1-25H/b31-27-,34-29-,35-28-,36-30-
InChIKeyNXRDXYUVSCRSEH-JCJWRQCQSA-N
MW623.73 g/mol
LogP10.70
Rot. Bonds1

About 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide

10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide (PubChem CID 134428409) has the molecular formula C42H25NO3S and a molecular weight of 623.73 g/mol. Its IUPAC name is 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide.

Molecular Properties

Compound Name10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide
PubChem CID134428409
Molecular FormulaC42H25NO3S
Molecular Weight623.73 g/mol
Exact Mass623.16
IUPAC Name10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-c1ccccc1-3
InChIInChI=1S/C42H25NO3S/c44-47(45)41-20-10-9-19-39(41)46-40-24-35-28-12-2-1-11-27(28)31-22-21-26(23-34(31)29-13-3-4-14-30(29)36(35)25-42(40)47)43-37-17-7-5-15-32(37)33-16-6-8-18-38(33)43/h1-25H/b31-27-,34-29-,35-28-,36-30-
InChIKeyNXRDXYUVSCRSEH-JCJWRQCQSA-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 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
The IUPAC name of 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide (CID 134428409) is 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide.
What is the SMILES notation for 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
The canonical SMILES for 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide is O=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-c1ccccc1-3.
What is the InChIKey of 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
The InChIKey is NXRDXYUVSCRSEH-JCJWRQCQSA-N. The full InChI is InChI=1S/C42H25NO3S/c44-47(45)41-20-10-9-19-39(41)46-40-24-35-28-12-2-1-11-27(28)31-22-21-26(23-34(31)29-13-3-4-14-30(29)36(35)25-42(40)47)43-37-17-7-5-15-32(37)33-16-6-8-18-38(33)43/h1-25H/b31-27-,34-29-,35-28-,36-30-.
What are the key properties of 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide?
10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(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 10-carbazol-9-yl-23-oxa-30λ6-thiaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene 30,30-dioxide is sourced from PubChem (CID 134428409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).