16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide

C41H24N2O3S — CID 134428469

IUPAC16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1-c1ccccc1-c1cccnc1-3
InChIInChI=1S/C41H24N2O3S/c44-47(45)39-18-8-7-17-37(39)46-38-23-34-33(24-40(38)47)28-20-19-25(43-35-15-5-3-12-29(35)30-13-4-6-16-36(30)43)22-32(28)27-11-2-1-10-26(27)31-14-9-21-42-41(31)34/h1-24H/b31-26-,32-27-,33-28-,41-34+
InChIKeyVEOGKQMCGHCCKM-RMXAXWFYSA-N
MW624.72 g/mol
LogP10.10
Rot. Bonds1

About 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide

16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide (PubChem CID 134428469) has the molecular formula C41H24N2O3S and a molecular weight of 624.72 g/mol. Its IUPAC name is 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide.

Molecular Properties

Compound Name16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide
PubChem CID134428469
Molecular FormulaC41H24N2O3S
Molecular Weight624.72 g/mol
Exact Mass624.15
IUPAC Name16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1-c1ccccc1-c1cccnc1-3
InChIInChI=1S/C41H24N2O3S/c44-47(45)39-18-8-7-17-37(39)46-38-23-34-33(24-40(38)47)28-20-19-25(43-35-15-5-3-12-29(35)30-13-4-6-16-36(30)43)22-32(28)27-11-2-1-10-26(27)31-14-9-21-42-41(31)34/h1-24H/b31-26-,32-27-,33-28-,41-34+
InChIKeyVEOGKQMCGHCCKM-RMXAXWFYSA-N
XLogP10.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.72
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide?
The IUPAC name of 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide (CID 134428469) is 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide.
What is the SMILES notation for 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide?
The canonical SMILES for 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide is O=S1(=O)c2ccccc2Oc2cc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1-c1ccccc1-c1cccnc1-3.
What is the InChIKey of 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide?
The InChIKey is VEOGKQMCGHCCKM-RMXAXWFYSA-N. The full InChI is InChI=1S/C41H24N2O3S/c44-47(45)39-18-8-7-17-37(39)46-38-23-34-33(24-40(38)47)28-20-19-25(43-35-15-5-3-12-29(35)30-13-4-6-16-36(30)43)22-32(28)27-11-2-1-10-26(27)31-14-9-21-42-41(31)34/h1-24H/b31-26-,32-27-,33-28-,41-34+.
What are the key properties of 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide?
16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide has a molecular weight of 624.72 g/mol, XLogP of 10.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-carbazol-9-yl-30-oxa-23λ6-thia-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene 23,23-dioxide is sourced from PubChem (CID 134428469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).