4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine

C43H30N2O — CID 140907204

IUPAC4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c2)cccc13
InChIInChI=1S/C43H30N2O/c1-43(2)36-22-10-9-19-32(36)34-24-35-33-21-12-20-31(41(33)46-40(35)25-37(34)43)29-17-11-18-30(23-29)39-26-38(27-13-5-3-6-14-27)44-42(45-39)28-15-7-4-8-16-28/h3-26H,1-2H3
InChIKeyGJJSGGGBTFBBHE-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.35
Rot. Bonds4

About 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 140907204) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID140907204
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c2)cccc13
InChIInChI=1S/C43H30N2O/c1-43(2)36-22-10-9-19-32(36)34-24-35-33-21-12-20-31(41(33)46-40(35)25-37(34)43)29-17-11-18-30(23-29)39-26-38(27-13-5-3-6-14-27)44-42(45-39)28-15-7-4-8-16-28/h3-26H,1-2H3
InChIKeyGJJSGGGBTFBBHE-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907280
7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907263
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
6,18-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;4-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-2,6-diphenylpyrimidine;4-[3-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2,6-diphenylpyrimidine;4-[18-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-2,6-diphenylpyrimidine;12-phenyl-8,16-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 158609089
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907327
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 159545616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine (CID 140907204) is 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c2)cccc13.
What is the InChIKey of 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is GJJSGGGBTFBBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(2)36-22-10-9-19-32(36)34-24-35-33-21-12-20-31(41(33)46-40(35)25-37(34)43)29-17-11-18-30(23-29)39-26-38(27-13-5-3-6-14-27)44-42(45-39)28-15-7-4-8-16-28/h3-26H,1-2H3.
What are the key properties of 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 590.73 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 140907204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).