2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile

C60H35N5O2 — CID 158258519

IUPAC2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile
SMILESN#Cc1c(-c2cccnc2)cccc1-c1cccc2c1Oc1c(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C60H35N5O2/c61-35-41-38(37-15-12-32-62-36-37)16-9-17-39(41)40-18-10-23-48-57(40)67-58-49(60(48)46-25-13-33-63-55(46)56-47(60)26-14-34-64-56)24-11-29-52(58)65-50-27-5-1-19-42(50)59(43-20-2-6-28-51(43)65)44-21-3-7-30-53(44)66-54-31-8-4-22-45(54)59/h1-34,36H
InChIKeyMNHNDUGYFHBVNL-UHFFFAOYSA-N
MW857.97 g/mol
LogP13.82
Rot. Bonds3

About 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile

2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile (PubChem CID 158258519) has the molecular formula C60H35N5O2 and a molecular weight of 857.97 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile.

Molecular Properties

Compound Name2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile
PubChem CID158258519
Molecular FormulaC60H35N5O2
Molecular Weight857.97 g/mol
Exact Mass857.28
IUPAC Name2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile
SMILESN#Cc1c(-c2cccnc2)cccc1-c1cccc2c1Oc1c(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C60H35N5O2/c61-35-41-38(37-15-12-32-62-36-37)16-9-17-39(41)40-18-10-23-48-57(40)67-58-49(60(48)46-25-13-33-63-55(46)56-47(60)26-14-34-64-56)24-11-29-52(58)65-50-27-5-1-19-42(50)59(43-20-2-6-28-51(43)65)44-21-3-7-30-53(44)66-54-31-8-4-22-45(54)59/h1-34,36H
InChIKeyMNHNDUGYFHBVNL-UHFFFAOYSA-N
XLogP13.82
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.97
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile with MolForge

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Related Compounds

9-(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]-4'-yl)carbazole-3,6-dicarbonitrile
CID 146655320
9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylcarbazole-3,6-dicarbonitrile
CID 146655621
4'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654482
4-chloro-5'-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]
CID 165162619
2,4-di(carbazol-9-yl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylbenzonitrile
CID 146656067
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]
CID 122435709
4-phenyl-5'-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine]
CID 165162385
4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654809
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
CID 146654706
10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 160634047
4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile
CID 158995169

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile?
The IUPAC name of 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile (CID 158258519) is 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile.
What is the SMILES notation for 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile?
The canonical SMILES for 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile is N#Cc1c(-c2cccnc2)cccc1-c1cccc2c1Oc1c(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cccc1C21c2cccnc2-c2ncccc21.
What is the InChIKey of 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile?
The InChIKey is MNHNDUGYFHBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N5O2/c61-35-41-38(37-15-12-32-62-36-37)16-9-17-39(41)40-18-10-23-48-57(40)67-58-49(60(48)46-25-13-33-63-55(46)56-47(60)26-14-34-64-56)24-11-29-52(58)65-50-27-5-1-19-42(50)59(43-20-2-6-28-51(43)65)44-21-3-7-30-53(44)66-54-31-8-4-22-45(54)59/h1-34,36H.
What are the key properties of 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile?
2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile has a molecular weight of 857.97 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile is sourced from PubChem (CID 158258519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).