10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine

C71H42N6O2S — CID 146655508

IUPAC10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)Sc1cc(N3c4ccccc4Oc4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C71H42N6O2S/c1-5-21-55-47(17-1)48-18-2-6-22-56(48)76(55)45-37-53-69(72-41-45)70-54(38-46(42-73-70)77-57-23-7-3-19-49(57)50-20-4-8-24-58(50)77)71(53)51-35-33-43(74-59-25-9-13-29-63(59)78-64-30-14-10-26-60(64)74)39-67(51)80-68-40-44(34-36-52(68)71)75-61-27-11-15-31-65(61)79-66-32-16-12-28-62(66)75/h1-42H
InChIKeyWSHHXDMQCYXLAO-UHFFFAOYSA-N
MW1043.22 g/mol
LogP18.65
Rot. Bonds4

About 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine

10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine (PubChem CID 146655508) has the molecular formula C71H42N6O2S and a molecular weight of 1043.22 g/mol. Its IUPAC name is 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine.

Molecular Properties

Compound Name10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine
PubChem CID146655508
Molecular FormulaC71H42N6O2S
Molecular Weight1043.22 g/mol
Exact Mass1042.31
IUPAC Name10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)Sc1cc(N3c4ccccc4Oc4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C71H42N6O2S/c1-5-21-55-47(17-1)48-18-2-6-22-56(48)76(55)45-37-53-69(72-41-45)70-54(38-46(42-73-70)77-57-23-7-3-19-49(57)50-20-4-8-24-58(50)77)71(53)51-35-33-43(74-59-25-9-13-29-63(59)78-64-30-14-10-26-60(64)74)39-67(51)80-68-40-44(34-36-52(68)71)75-61-27-11-15-31-65(61)79-66-32-16-12-28-62(66)75/h1-42H
InChIKeyWSHHXDMQCYXLAO-UHFFFAOYSA-N
XLogP18.65
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.22
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine 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 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine?
The IUPAC name of 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine (CID 146655508) is 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine.
What is the SMILES notation for 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine?
The canonical SMILES for 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)Sc1cc(N3c4ccccc4Oc4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine?
The InChIKey is WSHHXDMQCYXLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42N6O2S/c1-5-21-55-47(17-1)48-18-2-6-22-56(48)76(55)45-37-53-69(72-41-45)70-54(38-46(42-73-70)77-57-23-7-3-19-49(57)50-20-4-8-24-58(50)77)71(53)51-35-33-43(74-59-25-9-13-29-63(59)78-64-30-14-10-26-60(64)74)39-67(51)80-68-40-44(34-36-52(68)71)75-61-27-11-15-31-65(61)79-66-32-16-12-28-62(66)75/h1-42H.
What are the key properties of 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine?
10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine has a molecular weight of 1043.22 g/mol, XLogP of 18.65, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine is sourced from PubChem (CID 146655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).