10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile

C62H32N8O2 — CID 146654483

IUPAC10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)Oc1cc(C#N)ccc1N2c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C62H32N8O2/c63-32-36-15-21-52-44(26-36)45-29-39(69-54-22-16-37(33-64)27-58(54)72-59-28-38(34-65)17-23-55(59)69)19-24-53(45)68(52)40-18-20-47-57(31-40)71-56-14-6-3-10-46(56)62(47)48-11-7-25-66-60(48)61-49(62)30-41(35-67-61)70-50-12-4-1-8-42(50)43-9-2-5-13-51(43)70/h1-31,35H
InChIKeyOBQHEQHSUUPIIX-UHFFFAOYSA-N
MW920.99 g/mol
LogP14.33
Rot. Bonds3

About 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile

10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile (PubChem CID 146654483) has the molecular formula C62H32N8O2 and a molecular weight of 920.99 g/mol. Its IUPAC name is 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile.

Molecular Properties

Compound Name10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile
PubChem CID146654483
Molecular FormulaC62H32N8O2
Molecular Weight920.99 g/mol
Exact Mass920.26
IUPAC Name10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)Oc1cc(C#N)ccc1N2c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C62H32N8O2/c63-32-36-15-21-52-44(26-36)45-29-39(69-54-22-16-37(33-64)27-58(54)72-59-28-38(34-65)17-23-55(59)69)19-24-53(45)68(52)40-18-20-47-57(31-40)71-56-14-6-3-10-46(56)62(47)48-11-7-25-66-60(48)61-49(62)30-41(35-67-61)70-50-12-4-1-8-42(50)43-9-2-5-13-51(43)70/h1-31,35H
InChIKeyOBQHEQHSUUPIIX-UHFFFAOYSA-N
XLogP14.33
TPSA128.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.99
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile?
The IUPAC name of 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile (CID 146654483) is 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile.
What is the SMILES notation for 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile?
The canonical SMILES for 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile is N#Cc1ccc2c(c1)Oc1cc(C#N)ccc1N2c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile?
The InChIKey is OBQHEQHSUUPIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H32N8O2/c63-32-36-15-21-52-44(26-36)45-29-39(69-54-22-16-37(33-64)27-58(54)72-59-28-38(34-65)17-23-55(59)69)19-24-53(45)68(52)40-18-20-47-57(31-40)71-56-14-6-3-10-46(56)62(47)48-11-7-25-66-60(48)61-49(62)30-41(35-67-61)70-50-12-4-1-8-42(50)43-9-2-5-13-51(43)70/h1-31,35H.
What are the key properties of 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile?
10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile has a molecular weight of 920.99 g/mol, XLogP of 14.33, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(5-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'-yl)-6-cyanocarbazol-3-yl]phenoxazine-3,7-dicarbonitrile is sourced from PubChem (CID 146654483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).