3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C35H21N3O — CID 146654395

IUPAC3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C35H21N3O/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-26-32(21-22)39-31-16-6-3-11-25(31)35(26)27-12-7-19-36-33(27)34-28(35)13-8-20-37-34/h1-21H
InChIKeyJGHLWSQHSRVKBA-UHFFFAOYSA-N
MW499.57 g/mol
LogP8.04
Rot. Bonds1

About 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654395) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146654395
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C35H21N3O/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-26-32(21-22)39-31-16-6-3-11-25(31)35(26)27-12-7-19-36-33(27)34-28(35)13-8-20-37-34/h1-21H
InChIKeyJGHLWSQHSRVKBA-UHFFFAOYSA-N
XLogP8.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The IUPAC name of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654395) is 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].
What is the SMILES notation for 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The canonical SMILES for 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21.
What is the InChIKey of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is JGHLWSQHSRVKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-26-32(21-22)39-31-16-6-3-11-25(31)35(26)27-12-7-19-36-33(27)34-28(35)13-8-20-37-34/h1-21H.
What are the key properties of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 499.57 g/mol, XLogP of 8.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 146654395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).