4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine

C43H34N2O — CID 130374560

IUPAC4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)NC(c4ccccc4)N3)cc21
InChIInChI=1S/C43H34N2O/c1-43(2)36-14-8-6-12-32(36)33-22-20-31(25-37(33)43)39-26-38(44-42(45-39)29-10-4-3-5-11-29)28-18-16-27(17-19-28)30-21-23-41-35(24-30)34-13-7-9-15-40(34)46-41/h3-26,38,42,44-45H,1-2H3
InChIKeyRXVNTMKPCFGQDY-UHFFFAOYSA-N
MW594.76 g/mol
LogP10.53
Rot. Bonds4

About 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine

4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 130374560) has the molecular formula C43H34N2O and a molecular weight of 594.76 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine
PubChem CID130374560
Molecular FormulaC43H34N2O
Molecular Weight594.76 g/mol
Exact Mass594.27
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)NC(c4ccccc4)N3)cc21
InChIInChI=1S/C43H34N2O/c1-43(2)36-14-8-6-12-32(36)33-22-20-31(25-37(33)43)39-26-38(44-42(45-39)29-10-4-3-5-11-29)28-18-16-27(17-19-28)30-21-23-41-35(24-30)34-13-7-9-15-40(34)46-41/h3-26,38,42,44-45H,1-2H3
InChIKeyRXVNTMKPCFGQDY-UHFFFAOYSA-N
XLogP10.53
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 510.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine (CID 130374560) is 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine is CC1(C)c2ccccc2-c2ccc(C3=CC(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)NC(c4ccccc4)N3)cc21.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is RXVNTMKPCFGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O/c1-43(2)36-14-8-6-12-32(36)33-22-20-31(25-37(33)43)39-26-38(44-42(45-39)29-10-4-3-5-11-29)28-18-16-27(17-19-28)30-21-23-41-35(24-30)34-13-7-9-15-40(34)46-41/h3-26,38,42,44-45H,1-2H3.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine?
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 594.76 g/mol, XLogP of 10.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 130374560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).