4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine

C45H32N2 — CID 129174063

IUPAC4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)nc(-c4ccccc4-c4ccccc4)n3)cc21
InChIInChI=1S/C45H32N2/c1-45(2)40-23-13-12-21-36(40)37-25-24-31(27-41(37)45)42-28-43(39-26-30-16-6-7-18-33(30)34-19-9-10-20-35(34)39)47-44(46-42)38-22-11-8-17-32(38)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyWGRCVEIFEPHGMJ-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.76
Rot. Bonds4

About 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine

4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine (PubChem CID 129174063) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine
PubChem CID129174063
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)nc(-c4ccccc4-c4ccccc4)n3)cc21
InChIInChI=1S/C45H32N2/c1-45(2)40-23-13-12-21-36(40)37-25-24-31(27-41(37)45)42-28-43(39-26-30-16-6-7-18-33(30)34-19-9-10-20-35(34)39)47-44(46-42)38-22-11-8-17-32(38)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyWGRCVEIFEPHGMJ-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 168779406
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168778658
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778323
2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine
CID 175459036
4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777678
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenanthren-9-yl-6-phenylpyrimidine
CID 168779719
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine (CID 129174063) is 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)nc(-c4ccccc4-c4ccccc4)n3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine?
The InChIKey is WGRCVEIFEPHGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)40-23-13-12-21-36(40)37-25-24-31(27-41(37)45)42-28-43(39-26-30-16-6-7-18-33(30)34-19-9-10-20-35(34)39)47-44(46-42)38-22-11-8-17-32(38)29-14-4-3-5-15-29/h3-28H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine?
4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine has a molecular weight of 600.77 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 129174063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).