4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine

C185H128N8 — CID 161178608

IUPAC4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C50H36N2.2C47H32N2.C41H28N2/c1-3-10-37(11-4-1)49-51-45(31-46(52-49)38-24-26-41-40-14-5-6-15-43(40)50(44(41)30-38)28-7-2-8-29-50)33-18-16-32(17-19-33)39-25-22-36-21-20-34-12-9-13-35-23-27-42(39)48(36)47(34)35;1-47(2)40-17-7-6-16-37(40)38-24-22-35(27-41(38)47)43-28-42(48-46(49-43)32-10-4-3-5-11-32)34-15-9-14-33(26-34)36-23-20-31-19-18-29-12-8-13-30-21-25-39(36)45(31)44(29)30;1-47(2)40-14-7-6-13-37(40)38-25-23-35(27-41(38)47)43-28-42(48-46(49-43)34-9-4-3-5-10-34)30-17-15-29(16-18-30)36-24-21-33-20-19-31-11-8-12-32-22-26-39(36)45(33)44(31)32;1-41(2)34-14-7-6-13-30(34)31-20-19-29(23-35(31)41)36-24-37(43-40(42-36)28-9-4-3-5-10-28)32-21-17-27-16-15-25-11-8-12-26-18-22-33(32)39(27)38(25)26/h1,3-6,9-27,30-31H,2,7-8,28-29H2;2*3-28H,1-2H3;3-24H,1-2H3
InChIKeyUSDKAFZMEBNYFQ-UHFFFAOYSA-N
MW2463.11 g/mol
LogP48.65
Rot. Bonds15

About 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine

4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine (PubChem CID 161178608) has the molecular formula C185H128N8 and a molecular weight of 2463.11 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine
PubChem CID161178608
Molecular FormulaC185H128N8
Molecular Weight2463.11 g/mol
Exact Mass2461.03
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C50H36N2.2C47H32N2.C41H28N2/c1-3-10-37(11-4-1)49-51-45(31-46(52-49)38-24-26-41-40-14-5-6-15-43(40)50(44(41)30-38)28-7-2-8-29-50)33-18-16-32(17-19-33)39-25-22-36-21-20-34-12-9-13-35-23-27-42(39)48(36)47(34)35;1-47(2)40-17-7-6-16-37(40)38-24-22-35(27-41(38)47)43-28-42(48-46(49-43)32-10-4-3-5-11-32)34-15-9-14-33(26-34)36-23-20-31-19-18-29-12-8-13-30-21-25-39(36)45(31)44(29)30;1-47(2)40-14-7-6-13-37(40)38-25-23-35(27-41(38)47)43-28-42(48-46(49-43)34-9-4-3-5-10-34)30-17-15-29(16-18-30)36-24-21-33-20-19-31-11-8-12-32-22-26-39(36)45(33)44(31)32;1-41(2)34-14-7-6-13-30(34)31-20-19-29(23-35(31)41)36-24-37(43-40(42-36)28-9-4-3-5-10-28)32-21-17-27-16-15-25-11-8-12-26-18-22-33(32)39(27)38(25)26/h1,3-6,9-27,30-31H,2,7-8,28-29H2;2*3-28H,1-2H3;3-24H,1-2H3
InChIKeyUSDKAFZMEBNYFQ-UHFFFAOYSA-N
XLogP48.65
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002463.11
LogP ≤ 548.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine with MolForge

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Related Compounds

4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778898
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263667
2',7'-bis(5-pyren-1-ylnaphthalen-1-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];1-[5-[9,9-dimethyl-7-(5-pyren-1-ylnaphthalen-1-yl)fluoren-2-yl]naphthalen-1-yl]pyrene;1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene;1-[9,9-dimethyl-7-(6-pyren-1-ylpyren-1-yl)fluoren-2-yl]-6-pyren-1-ylpyrene
CID 159982983
4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777678
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779800
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130264065
2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-1-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)pyrimidine
CID 159818880
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778323
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine (CID 161178608) is 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)n2)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine?
The InChIKey is USDKAFZMEBNYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2.2C47H32N2.C41H28N2/c1-3-10-37(11-4-1)49-51-45(31-46(52-49)38-24-26-41-40-14-5-6-15-43(40)50(44(41)30-38)28-7-2-8-29-50)33-18-16-32(17-19-33)39-25-22-36-21-20-34-12-9-13-35-23-27-42(39)48(36)47(34)35;1-47(2)40-17-7-6-16-37(40)38-24-22-35(27-41(38)47)43-28-42(48-46(49-43)32-10-4-3-5-11-32)34-15-9-14-33(26-34)36-23-20-31-19-18-29-12-8-13-30-21-25-39(36)45(31)44(29)30;1-47(2)40-14-7-6-13-37(40)38-25-23-35(27-41(38)47)43-28-42(48-46(49-43)34-9-4-3-5-10-34)30-17-15-29(16-18-30)36-24-21-33-20-19-31-11-8-12-32-22-26-39(36)45(33)44(31)32;1-41(2)34-14-7-6-13-30(34)31-20-19-29(23-35(31)41)36-24-37(43-40(42-36)28-9-4-3-5-10-28)32-21-17-27-16-15-25-11-8-12-26-18-22-33(32)39(27)38(25)26/h1,3-6,9-27,30-31H,2,7-8,28-29H2;2*3-28H,1-2H3;3-24H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine?
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine has a molecular weight of 2463.11 g/mol, XLogP of 48.65, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine is sourced from PubChem (CID 161178608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).