9-(6'-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'-yl)carbazole-3,6-dicarbonitrile

C49H26N6O2 — CID 146654378

IUPAC9-(6'-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'-yl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1C1(c3ccc(N4c5ccccc5Oc5ccccc54)cc3O2)c2cccnc2-c2ncccc21
InChIInChI=1S/C49H26N6O2/c50-27-29-16-20-37-32(24-29)33-25-30(28-51)17-21-38(33)55(37)41-12-5-15-44-46(41)49(35-8-6-22-52-47(35)48-36(49)9-7-23-53-48)34-19-18-31(26-45(34)57-44)54-39-10-1-3-13-42(39)56-43-14-4-2-11-40(43)54/h1-26H
InChIKeyJGEKGQLJYKSECF-UHFFFAOYSA-N
MW730.79 g/mol
LogP11.36
Rot. Bonds2

About 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile

9-(6'-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'-yl)carbazole-3,6-dicarbonitrile (PubChem CID 146654378) has the molecular formula C49H26N6O2 and a molecular weight of 730.79 g/mol. Its IUPAC name is 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(6'-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'-yl)carbazole-3,6-dicarbonitrile
PubChem CID146654378
Molecular FormulaC49H26N6O2
Molecular Weight730.79 g/mol
Exact Mass730.21
IUPAC Name9-(6'-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'-yl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1C1(c3ccc(N4c5ccccc5Oc5ccccc54)cc3O2)c2cccnc2-c2ncccc21
InChIInChI=1S/C49H26N6O2/c50-27-29-16-20-37-32(24-29)33-25-30(28-51)17-21-38(33)55(37)41-12-5-15-44-46(41)49(35-8-6-22-52-47(35)48-36(49)9-7-23-53-48)34-19-18-31(26-45(34)57-44)54-39-10-1-3-13-42(39)56-43-14-4-2-11-40(43)54/h1-26H
InChIKeyJGEKGQLJYKSECF-UHFFFAOYSA-N
XLogP11.36
TPSA99.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.79
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile with MolForge

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Related Compounds

22-(8,8-Diphenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-14-oxa-11,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8(13),9,11,16,18,20-decaene
CID 129254850
11-[3-(9-Phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 129289205
3-[4-[4-(7-Methoxyquinolin-8-yl)piperazin-1-yl]cyclohexyl]-1-methylindole-5-carbonitrile
CID 18414163
10-[4-[5-(4-Carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
10-[5-(4-Carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
CID 59372059
2-(4-Tert-butyl-2,6-dimethylphenyl)-11,15-dimethyl-13-oxa-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 59572955
2-(4-Tert-butyl-2,6-dimethylphenyl)-11-methyl-13-oxa-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 59573103
3-(13,13-Dimethyl-1,16-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-5-yl)-10-phenylphenoxazine
CID 68203528
7-Methoxy-8-piperazin-1-ylquinoline;3-[4-[4-(7-methoxyquinolin-8-yl)piperazin-1-yl]cyclohexyl]-1-methylindole-5-carbonitrile
CID 70204142
10-[9-(5,5-Dimethylindeno[1,2-b]pyridin-8-yl)carbazol-3-yl]phenoxazine
CID 117726988
9-[3-(3-Pyridin-3-ylphenyl)-9,9'-spirobi[xanthene]-3'-yl]carbazole
CID 118698513
9-[3-(2-Pyridin-3-yl-4-pyridinyl)-9,9'-spirobi[xanthene]-3'-yl]carbazole
CID 118698516

Frequently Asked Questions

What is the IUPAC name of 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile (CID 146654378) is 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1C1(c3ccc(N4c5ccccc5Oc5ccccc54)cc3O2)c2cccnc2-c2ncccc21.
What is the InChIKey of 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile?
The InChIKey is JGEKGQLJYKSECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H26N6O2/c50-27-29-16-20-37-32(24-29)33-25-30(28-51)17-21-38(33)55(37)41-12-5-15-44-46(41)49(35-8-6-22-52-47(35)48-36(49)9-7-23-53-48)34-19-18-31(26-45(34)57-44)54-39-10-1-3-13-42(39)56-43-14-4-2-11-40(43)54/h1-26H.
What are the key properties of 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile?
9-(6'-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'-yl)carbazole-3,6-dicarbonitrile has a molecular weight of 730.79 g/mol, XLogP of 11.36, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6'-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'-yl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 146654378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).