8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine

C43H30N2O — CID 134399160

IUPAC8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cc3)cc21
InChIInChI=1S/C43H30N2O/c1-43(2)36-16-10-9-15-33(36)34-23-21-32(26-37(34)43)28-19-17-27(18-20-28)31-22-24-38-35(25-31)40-41(46-38)39(29-11-5-3-6-12-29)44-42(45-40)30-13-7-4-8-14-30/h3-26H,1-2H3
InChIKeyBJVCONJVENLYKQ-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.35
Rot. Bonds4

About 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine

8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 134399160) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID134399160
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cc3)cc21
InChIInChI=1S/C43H30N2O/c1-43(2)36-16-10-9-15-33(36)34-23-21-32(26-37(34)43)28-19-17-27(18-20-28)31-22-24-38-35(25-31)40-41(46-38)39(29-11-5-3-6-12-29)44-42(45-40)30-13-7-4-8-14-30/h3-26H,1-2H3
InChIKeyBJVCONJVENLYKQ-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-chloro-8-(9,9-dimethylfluoren-2-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134398969
2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399102
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 166901522
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167047627
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166901756
2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 134399157
8-(5-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166726597
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829

Frequently Asked Questions

What is the IUPAC name of 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (CID 134399160) is 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cc3)cc21.
What is the InChIKey of 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is BJVCONJVENLYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(2)36-16-10-9-15-33(36)34-23-21-32(26-37(34)43)28-19-17-27(18-20-28)31-22-24-38-35(25-31)40-41(46-38)39(29-11-5-3-6-12-29)44-42(45-40)30-13-7-4-8-14-30/h3-26H,1-2H3.
What are the key properties of 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine 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 8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 134399160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).