2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline

C44H32N2O — CID 140907283

IUPAC2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C7(C)C)nc4ccccc34)cc21
InChIInChI=1S/C44H32N2O/c1-43(2)33-16-8-5-12-26(33)28-21-20-25(22-35(28)43)41-29-14-7-10-18-37(29)45-42(46-41)30-15-11-19-38-40(30)32-23-31-27-13-6-9-17-34(27)44(3,4)36(31)24-39(32)47-38/h5-24H,1-4H3
InChIKeyBCJNVUXWTGPBDJ-UHFFFAOYSA-N
MW604.75 g/mol
LogP11.48
Rot. Bonds2

About 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline (PubChem CID 140907283) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline.

Molecular Properties

Compound Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
PubChem CID140907283
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C7(C)C)nc4ccccc34)cc21
InChIInChI=1S/C44H32N2O/c1-43(2)33-16-8-5-12-26(33)28-21-20-25(22-35(28)43)41-29-14-7-10-18-37(29)45-42(46-41)30-15-11-19-38-40(30)32-23-31-27-13-6-9-17-34(27)44(3,4)36(31)24-39(32)47-38/h5-24H,1-4H3
InChIKeyBCJNVUXWTGPBDJ-UHFFFAOYSA-N
XLogP11.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline with MolForge

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Related Compounds

7,7-dimethyl-5-phenyl-2-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134594832
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140907356
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine
CID 166511482
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
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
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217925
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217923

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline?
The IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline (CID 140907283) is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline.
What is the SMILES notation for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline?
The canonical SMILES for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C7(C)C)nc4ccccc34)cc21.
What is the InChIKey of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline?
The InChIKey is BCJNVUXWTGPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-43(2)33-16-8-5-12-26(33)28-21-20-25(22-35(28)43)41-29-14-7-10-18-37(29)45-42(46-41)30-15-11-19-38-40(30)32-23-31-27-13-6-9-17-34(27)44(3,4)36(31)24-39(32)47-38/h5-24H,1-4H3.
What are the key properties of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline?
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline has a molecular weight of 604.75 g/mol, XLogP of 11.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline is sourced from PubChem (CID 140907283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).