13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine

C33H23NO2 — CID 90225228

IUPAC13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
SMILESCC1(C)c2ccccc2N(c2cccc3c2oc2ccccc23)c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C33H23NO2/c1-33(2)24-13-5-6-14-26(24)34(27-15-9-12-22-20-10-3-7-16-28(20)35-31(22)27)30-25(33)19-18-23-21-11-4-8-17-29(21)36-32(23)30/h3-19H,1-2H3
InChIKeyIJIZHOKARINCQR-UHFFFAOYSA-N
MW465.55 g/mol
LogP9.59
Rot. Bonds1

About 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine

13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine (PubChem CID 90225228) has the molecular formula C33H23NO2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine.

Molecular Properties

Compound Name13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
PubChem CID90225228
Molecular FormulaC33H23NO2
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
SMILESCC1(C)c2ccccc2N(c2cccc3c2oc2ccccc23)c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C33H23NO2/c1-33(2)24-13-5-6-14-26(24)34(27-15-9-12-22-20-10-3-7-16-28(20)35-31(22)27)30-25(33)19-18-23-21-11-4-8-17-29(21)36-32(23)30/h3-19H,1-2H3
InChIKeyIJIZHOKARINCQR-UHFFFAOYSA-N
XLogP9.59
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis-dibenzofuran-4-yl-N,N'-bis-(2,5-dimethyl-phenyl)-pyrene-1,6-diamine
CID 121274496
10-(4-(5,5-Dimethylbenzofuro[3,2-c]acridin-13(5h)-yl)phenyl)-10-phenylanthracen-9(10h)-one
CID 156062181
3-Dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenoxazine
CID 71003837
6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126827
N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine
CID 71126844
1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
CID 87618131
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluoro-2-phenylphenyl)pyrene-1,6-diamine
CID 87618138
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluoro-3-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 87618145
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-fluoro-6-phenylphenyl)pyrene-1,6-diamine
CID 87618841
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
CID 87618842
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluoro-3-phenylphenyl)pyrene-1,6-diamine
CID 87618938
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 87618947

Frequently Asked Questions

What is the IUPAC name of 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
The IUPAC name of 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine (CID 90225228) is 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine.
What is the SMILES notation for 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
The canonical SMILES for 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine is CC1(C)c2ccccc2N(c2cccc3c2oc2ccccc23)c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
The InChIKey is IJIZHOKARINCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO2/c1-33(2)24-13-5-6-14-26(24)34(27-15-9-12-22-20-10-3-7-16-28(20)35-31(22)27)30-25(33)19-18-23-21-11-4-8-17-29(21)36-32(23)30/h3-19H,1-2H3.
What are the key properties of 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine has a molecular weight of 465.55 g/mol, XLogP of 9.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-dibenzofuran-4-yl-5,5-dimethyl-[1]benzofuro[3,2-c]acridine is sourced from PubChem (CID 90225228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).