5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C59H35N5O2 — CID 146655702

IUPAC5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C59H35N5O2/c1-5-21-46-38(15-1)39-16-2-6-22-47(39)63(46)37-34-45-57(61-35-37)56-43(20-14-32-60-56)59(45)42-18-4-10-27-53(42)66-58-44(59)19-13-26-52(58)64-48-23-7-3-17-40(48)41-33-36(30-31-49(41)64)62-50-24-8-11-28-54(50)65-55-29-12-9-25-51(55)62/h1-35H
InChIKeyPZHMMKZAQDDXDN-UHFFFAOYSA-N
MW845.96 g/mol
LogP14.72
Rot. Bonds3

About 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146655702) has the molecular formula C59H35N5O2 and a molecular weight of 845.96 g/mol. Its IUPAC name is 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146655702
Molecular FormulaC59H35N5O2
Molecular Weight845.96 g/mol
Exact Mass845.28
IUPAC Name5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C59H35N5O2/c1-5-21-46-38(15-1)39-16-2-6-22-47(39)63(46)37-34-45-57(61-35-37)56-43(20-14-32-60-56)59(45)42-18-4-10-27-53(42)66-58-44(59)19-13-26-52(58)64-48-23-7-3-17-40(48)41-33-36(30-31-49(41)64)62-50-24-8-11-28-54(50)65-55-29-12-9-25-51(55)62/h1-35H
InChIKeyPZHMMKZAQDDXDN-UHFFFAOYSA-N
XLogP14.72
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.96
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[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 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146655702) is 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[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 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[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 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is PZHMMKZAQDDXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O2/c1-5-21-46-38(15-1)39-16-2-6-22-47(39)63(46)37-34-45-57(61-35-37)56-43(20-14-32-60-56)59(45)42-18-4-10-27-53(42)66-58-44(59)19-13-26-52(58)64-48-23-7-3-17-40(48)41-33-36(30-31-49(41)64)62-50-24-8-11-28-54(50)65-55-29-12-9-25-51(55)62/h1-35H.
What are the key properties of 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[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 845.96 g/mol, XLogP of 14.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-4'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[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 146655702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).