4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline

C41H26N2O2 — CID 134217963

IUPAC4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)cc43)c21
InChIInChI=1S/C41H26N2O2/c1-41(2)31-14-6-3-10-24(31)25-19-20-26-30-22-23(18-21-34(30)45-39(26)37(25)41)40-42-32-15-7-4-11-27(32)38(43-40)29-13-9-17-35-36(29)28-12-5-8-16-33(28)44-35/h3-22H,1-2H3
InChIKeyQSWREOKUKVFGDS-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.07
Rot. Bonds2

About 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline

4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline (PubChem CID 134217963) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
PubChem CID134217963
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)cc43)c21
InChIInChI=1S/C41H26N2O2/c1-41(2)31-14-6-3-10-24(31)25-19-20-26-30-22-23(18-21-34(30)45-39(26)37(25)41)40-42-32-15-7-4-11-27(32)38(43-40)29-13-9-17-35-36(29)28-12-5-8-16-33(28)44-35/h3-22H,1-2H3
InChIKeyQSWREOKUKVFGDS-UHFFFAOYSA-N
XLogP11.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline with MolForge

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Related Compounds

4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 157121907
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline;4-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 162102671
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
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-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]phenyl]-4-naphtho[1,2-b][1]benzofuran-8-ylquinazoline
CID 156564230
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002678
12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163847238
9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine
CID 166511482
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 130232482
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline?
The IUPAC name of 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline (CID 134217963) is 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline?
The canonical SMILES for 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline is CC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)cc43)c21.
What is the InChIKey of 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline?
The InChIKey is QSWREOKUKVFGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-41(2)31-14-6-3-10-24(31)25-19-20-26-30-22-23(18-21-34(30)45-39(26)37(25)41)40-42-32-15-7-4-11-27(32)38(43-40)29-13-9-17-35-36(29)28-12-5-8-16-33(28)44-35/h3-22H,1-2H3.
What are the key properties of 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline?
4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline has a molecular weight of 578.67 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline is sourced from PubChem (CID 134217963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).