4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C43H25N7O — CID 118517149

IUPAC4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8ncnnc8n(-c8ccccc8)c7c6)cc45)cc32)cc1
InChIInChI=1S/C43H25N7O/c1-3-9-28(10-4-1)49-37-14-8-7-13-30(37)31-17-15-26(19-38(31)49)35-21-33-34-22-36(45-24-41(34)51-40(33)23-44-35)27-16-18-32-39(20-27)50(29-11-5-2-6-12-29)43-42(32)46-25-47-48-43/h1-25H
InChIKeyXTZQWAJMINQLPZ-UHFFFAOYSA-N
MW655.72 g/mol
LogP10.09
Rot. Bonds4

About 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 118517149) has the molecular formula C43H25N7O and a molecular weight of 655.72 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID118517149
Molecular FormulaC43H25N7O
Molecular Weight655.72 g/mol
Exact Mass655.21
IUPAC Name4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8ncnnc8n(-c8ccccc8)c7c6)cc45)cc32)cc1
InChIInChI=1S/C43H25N7O/c1-3-9-28(10-4-1)49-37-14-8-7-13-30(37)31-17-15-26(19-38(31)49)35-21-33-34-22-36(45-24-41(34)51-40(33)23-44-35)27-16-18-32-39(20-27)50(29-11-5-2-6-12-29)43-42(32)46-25-47-48-43/h1-25H
InChIKeyXTZQWAJMINQLPZ-UHFFFAOYSA-N
XLogP10.09
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.72
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 118517149) is 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8ncnnc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is XTZQWAJMINQLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N7O/c1-3-9-28(10-4-1)49-37-14-8-7-13-30(37)31-17-15-26(19-38(31)49)35-21-33-34-22-36(45-24-41(34)51-40(33)23-44-35)27-16-18-32-39(20-27)50(29-11-5-2-6-12-29)43-42(32)46-25-47-48-43/h1-25H.
What are the key properties of 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 655.72 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 118517149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).