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

C47H28N4O2 — CID 146654380

IUPAC1'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)C1(c3ccccc3Oc3cccc(-n4c5ccccc5c5ccccc54)c31)c1cccnc1-2
InChIInChI=1S/C47H28N4O2/c1-4-17-35-30(13-1)31-14-2-5-18-36(31)51(35)39-21-11-25-43-44(39)47(32-15-3-8-22-40(32)52-43)33-16-12-26-48-45(33)46-34(47)27-29(28-49-46)50-37-19-6-9-23-41(37)53-42-24-10-7-20-38(42)50/h1-28H
InChIKeyHXXNBUZVODCNMW-UHFFFAOYSA-N
MW680.77 g/mol
LogP11.62
Rot. Bonds2

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

1'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654380) has the molecular formula C47H28N4O2 and a molecular weight of 680.77 g/mol. Its IUPAC name is 1'-carbazol-9-yl-5-phenoxazin-10-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 Name1'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146654380
Molecular FormulaC47H28N4O2
Molecular Weight680.77 g/mol
Exact Mass680.22
IUPAC Name1'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)C1(c3ccccc3Oc3cccc(-n4c5ccccc5c5ccccc54)c31)c1cccnc1-2
InChIInChI=1S/C47H28N4O2/c1-4-17-35-30(13-1)31-14-2-5-18-36(31)51(35)39-21-11-25-43-44(39)47(32-15-3-8-22-40(32)52-43)33-16-12-26-48-45(33)46-34(47)27-29(28-49-46)50-37-19-6-9-23-41(37)53-42-24-10-7-20-38(42)50/h1-28H
InChIKeyHXXNBUZVODCNMW-UHFFFAOYSA-N
XLogP11.62
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-carbazol-9-yl-5-phenoxazin-10-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 1'-carbazol-9-yl-5-phenoxazin-10-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 1'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654380) is 1'-carbazol-9-yl-5-phenoxazin-10-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 1'-carbazol-9-yl-5-phenoxazin-10-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 1'-carbazol-9-yl-5-phenoxazin-10-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)Oc1ccccc1N2c1cnc2c(c1)C1(c3ccccc3Oc3cccc(-n4c5ccccc5c5ccccc54)c31)c1cccnc1-2.
What is the InChIKey of 1'-carbazol-9-yl-5-phenoxazin-10-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 HXXNBUZVODCNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O2/c1-4-17-35-30(13-1)31-14-2-5-18-36(31)51(35)39-21-11-25-43-44(39)47(32-15-3-8-22-40(32)52-43)33-16-12-26-48-45(33)46-34(47)27-29(28-49-46)50-37-19-6-9-23-41(37)53-42-24-10-7-20-38(42)50/h1-28H.
What are the key properties of 1'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
1'-carbazol-9-yl-5-phenoxazin-10-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 680.77 g/mol, XLogP of 11.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-carbazol-9-yl-5-phenoxazin-10-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 146654380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).