4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine

C60H40N4 — CID 134574324

IUPAC4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc21
InChIInChI=1S/C60H40N4/c1-59(2)49-23-11-8-21-44(49)47-33-54-48(32-52(47)59)45-22-10-13-25-51(45)60(54)50-24-12-9-20-43(50)41-18-6-7-19-42(41)46-28-26-38(31-53(46)60)57-34-56(37-15-4-3-5-16-37)63-58(64-57)40-27-29-55(62-36-40)39-17-14-30-61-35-39/h3-36H,1-2H3
InChIKeyZMRAVGNRXNUMSL-UHFFFAOYSA-N
MW817.01 g/mol
LogP14.25
Rot. Bonds4

About 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine

4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine (PubChem CID 134574324) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine
PubChem CID134574324
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc21
InChIInChI=1S/C60H40N4/c1-59(2)49-23-11-8-21-44(49)47-33-54-48(32-52(47)59)45-22-10-13-25-51(45)60(54)50-24-12-9-20-43(50)41-18-6-7-19-42(41)46-28-26-38(31-53(46)60)57-34-56(37-15-4-3-5-16-37)63-58(64-57)40-27-29-55(62-36-40)39-17-14-30-61-35-39/h3-36H,1-2H3
InChIKeyZMRAVGNRXNUMSL-UHFFFAOYSA-N
XLogP14.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine with MolForge

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Related Compounds

2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261383
2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 134574320
4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine
CID 134253270
2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130260858
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584
4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573636
4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
CID 134253329
4-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 162175263
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 160814646
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
CID 134258345

Frequently Asked Questions

What is the IUPAC name of 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine?
The IUPAC name of 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine (CID 134574324) is 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc21.
What is the InChIKey of 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine?
The InChIKey is ZMRAVGNRXNUMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-59(2)49-23-11-8-21-44(49)47-33-54-48(32-52(47)59)45-22-10-13-25-51(45)60(54)50-24-12-9-20-43(50)41-18-6-7-19-42(41)46-28-26-38(31-53(46)60)57-34-56(37-15-4-3-5-16-37)63-58(64-57)40-27-29-55(62-36-40)39-17-14-30-61-35-39/h3-36H,1-2H3.
What are the key properties of 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine?
4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine has a molecular weight of 817.01 g/mol, XLogP of 14.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 134574324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).