21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene

C43H25N5O — CID 140932079

IUPAC21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene
SMILESc1cnc2c(c1)-c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)ccc1-c1occc1-c1cccnc1-2
InChIInChI=1S/C43H25N5O/c1-4-14-38-28(8-1)34-12-7-22-46-43(34)48(38)27-16-18-39-36(25-27)29-9-2-3-13-37(29)47(39)26-15-17-32-35(24-26)31-11-6-21-45-41(31)40-30(10-5-20-44-40)33-19-23-49-42(32)33/h1-25H/b33-30-,35-31-,41-40-,42-32+
InChIKeyXVQQLUCMAYIIPI-KZTCIBKMSA-N
MW627.71 g/mol
LogP10.64
Rot. Bonds2

About 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene

21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene (PubChem CID 140932079) has the molecular formula C43H25N5O and a molecular weight of 627.71 g/mol. Its IUPAC name is 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene.

Molecular Properties

Compound Name21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene
PubChem CID140932079
Molecular FormulaC43H25N5O
Molecular Weight627.71 g/mol
Exact Mass627.21
IUPAC Name21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene
SMILESc1cnc2c(c1)-c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)ccc1-c1occc1-c1cccnc1-2
InChIInChI=1S/C43H25N5O/c1-4-14-38-28(8-1)34-12-7-22-46-43(34)48(38)27-16-18-39-36(25-27)29-9-2-3-13-37(29)47(39)26-15-17-32-35(24-26)31-11-6-21-45-41(31)40-30(10-5-20-44-40)33-19-23-49-42(32)33/h1-25H/b33-30-,35-31-,41-40-,42-32+
InChIKeyXVQQLUCMAYIIPI-KZTCIBKMSA-N
XLogP10.64
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.71
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene?
The IUPAC name of 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene (CID 140932079) is 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene.
What is the SMILES notation for 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene?
The canonical SMILES for 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene is c1cnc2c(c1)-c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)ccc1-c1occc1-c1cccnc1-2.
What is the InChIKey of 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene?
The InChIKey is XVQQLUCMAYIIPI-KZTCIBKMSA-N. The full InChI is InChI=1S/C43H25N5O/c1-4-14-38-28(8-1)34-12-7-22-46-43(34)48(38)27-16-18-39-36(25-27)29-9-2-3-13-37(29)47(39)26-15-17-32-35(24-26)31-11-6-21-45-41(31)40-30(10-5-20-44-40)33-19-23-49-42(32)33/h1-25H/b33-30-,35-31-,41-40-,42-32+.
What are the key properties of 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene?
21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene has a molecular weight of 627.71 g/mol, XLogP of 10.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(3-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-3-oxa-11,14-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13(18),14,16,20,22-undecaene is sourced from PubChem (CID 140932079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).