4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine

C42H27N3 — CID 134253305

IUPAC4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3nc(-c4ccccc4)cc(-c4cccnc4)n3)ccc12
InChIInChI=1S/C42H27N3/c1-2-13-30(14-3-1)39-26-40(32-15-10-24-43-27-32)45-41(44-39)31-22-23-38-34(25-31)33-16-6-9-19-37(33)42(38)35-17-7-4-11-28(35)20-21-29-12-5-8-18-36(29)42/h1-27H
InChIKeyYRYQGMCUTWHTGO-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.72
Rot. Bonds3

About 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine

4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine (PubChem CID 134253305) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine.

Molecular Properties

Compound Name4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
PubChem CID134253305
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3nc(-c4ccccc4)cc(-c4cccnc4)n3)ccc12
InChIInChI=1S/C42H27N3/c1-2-13-30(14-3-1)39-26-40(32-15-10-24-43-27-32)45-41(44-39)31-22-23-38-34(25-31)33-16-6-9-19-37(33)42(38)35-17-7-4-11-28(35)20-21-29-12-5-8-18-36(29)42/h1-27H
InChIKeyYRYQGMCUTWHTGO-UHFFFAOYSA-N
XLogP9.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine with MolForge

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Related Compounds

4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
CID 134253303
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-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-bis(3-pyridin-3-ylphenyl)-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 134253271
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
CID 134253331
4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine
CID 134253246
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-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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 134258351
4-(3-phenylphenyl)-2-pyridin-3-yl-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine
CID 146557528
4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-yl-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 130261373
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 146633320
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 146632746

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
The IUPAC name of 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine (CID 134253305) is 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine.
What is the SMILES notation for 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
The canonical SMILES for 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3nc(-c4ccccc4)cc(-c4cccnc4)n3)ccc12.
What is the InChIKey of 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
The InChIKey is YRYQGMCUTWHTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-13-30(14-3-1)39-26-40(32-15-10-24-43-27-32)45-41(44-39)31-22-23-38-34(25-31)33-16-6-9-19-37(33)42(38)35-17-7-4-11-28(35)20-21-29-12-5-8-18-36(29)42/h1-27H.
What are the key properties of 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine has a molecular weight of 573.70 g/mol, XLogP of 9.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-pyridin-3-yl-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine is sourced from PubChem (CID 134253305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).