5-(4-methylphenyl)-2-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

C42H28N2 — CID 130260936

IUPAC5-(4-methylphenyl)-2-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
SMILESCc1ccc(-c2cnc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc2)cc1
InChIInChI=1S/C42H28N2/c1-27-18-20-28(21-19-27)30-25-43-41(44-26-30)29-22-23-40-36(24-29)32-11-3-2-10-31(32)33-12-4-7-15-37(33)42(40)38-16-8-5-13-34(38)35-14-6-9-17-39(35)42/h2-26H,1H3
InChIKeyAWPCKMMMYQLAJI-UHFFFAOYSA-N
MW560.70 g/mol
LogP10.13
Rot. Bonds2

About 5-(4-methylphenyl)-2-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

5-(4-methylphenyl)-2-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 (PubChem CID 130260936) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-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.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-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
PubChem CID130260936
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name5-(4-methylphenyl)-2-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
SMILESCc1ccc(-c2cnc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc2)cc1
InChIInChI=1S/C42H28N2/c1-27-18-20-28(21-19-27)30-25-43-41(44-26-30)29-22-23-40-36(24-29)32-11-3-2-10-31(32)33-12-4-7-15-37(33)42(40)38-16-8-5-13-34(38)35-14-6-9-17-39(35)42/h2-26H,1H3
InChIKeyAWPCKMMMYQLAJI-UHFFFAOYSA-N
XLogP10.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-methylphenyl)-2-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 with MolForge

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Related Compounds

4-(2-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'-ylpyrimidin-5-yl)benzonitrile
CID 130268496
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-phenyl-5-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 130261195
2-(4-methylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253394
2,4-diphenyl-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'-yl-1,3,5-triazine
CID 130261102
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-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'-yl-1,3,5-triazine
CID 153288047
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
2-(4-tert-butylphenyl)-5-[2'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2-yl]pyrimidine
CID 164717287
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-[9,9-bis(2-methylphenyl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 139566173
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-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?
The IUPAC name of 5-(4-methylphenyl)-2-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 130260936) is 5-(4-methylphenyl)-2-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.
What is the SMILES notation for 5-(4-methylphenyl)-2-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?
The canonical SMILES for 5-(4-methylphenyl)-2-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 is Cc1ccc(-c2cnc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-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?
The InChIKey is AWPCKMMMYQLAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-27-18-20-28(21-19-27)30-25-43-41(44-26-30)29-22-23-40-36(24-29)32-11-3-2-10-31(32)33-12-4-7-15-37(33)42(40)38-16-8-5-13-34(38)35-14-6-9-17-39(35)42/h2-26H,1H3.
What are the key properties of 5-(4-methylphenyl)-2-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?
5-(4-methylphenyl)-2-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 has a molecular weight of 560.70 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-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 is sourced from PubChem (CID 130260936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).