4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine

C41H30N2O2 — CID 155038154

IUPAC4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine
SMILESCCC1C(c2ccccc2)=NC(c2cc(C)c3c(c2)oc2c4ccccc4ccc23)=NC1c1cccc2oc3ccccc3c12
InChIInChI=1S/C41H30N2O2/c1-3-28-38(26-13-5-4-6-14-26)42-41(43-39(28)31-17-11-19-34-37(31)30-16-9-10-18-33(30)44-34)27-22-24(2)36-32-21-20-25-12-7-8-15-29(25)40(32)45-35(36)23-27/h4-23,28,39H,3H2,1-2H3
InChIKeyDUBOJISBLBCVOK-UHFFFAOYSA-N
MW582.70 g/mol
LogP10.96
Rot. Bonds4

About 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine

4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine (PubChem CID 155038154) has the molecular formula C41H30N2O2 and a molecular weight of 582.70 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine
PubChem CID155038154
Molecular FormulaC41H30N2O2
Molecular Weight582.70 g/mol
Exact Mass582.23
IUPAC Name4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine
SMILESCCC1C(c2ccccc2)=NC(c2cc(C)c3c(c2)oc2c4ccccc4ccc23)=NC1c1cccc2oc3ccccc3c12
InChIInChI=1S/C41H30N2O2/c1-3-28-38(26-13-5-4-6-14-26)42-41(43-39(28)31-17-11-19-34-37(31)30-16-9-10-18-33(30)44-34)27-22-24(2)36-32-21-20-25-12-7-8-15-29(25)40(32)45-35(36)23-27/h4-23,28,39H,3H2,1-2H3
InChIKeyDUBOJISBLBCVOK-UHFFFAOYSA-N
XLogP10.96
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine
CID 155042592
12-[3-[5-ethyl-6-(9-phenylcarbazol-4-yl)-2-(4-phenylphenyl)-4,5-dihydropyrimidin-4-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 167043642
12-[4-[5-ethyl-2-(3-phenylphenyl)-4-(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699038
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
17-naphthalen-2-yl-19-phenyl-4-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.03,11.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3(11),5,7,9,12,16,18,22(37),23,25(36),26,28,30,32,34-hexadecaene
CID 167032886
N-(4-dibenzofuran-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330776
2-(4-naphthalen-1-ylphenyl)-6-phenyl-4-(9-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,4-dihydro-1,3,5-triazine
CID 166975785
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
12-[2-(6-dibenzofuran-2-yl-5-ethyl-2-naphthalen-1-yl-4,5-dihydropyrimidin-4-yl)dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167043304
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine (CID 155038154) is 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine is CCC1C(c2ccccc2)=NC(c2cc(C)c3c(c2)oc2c4ccccc4ccc23)=NC1c1cccc2oc3ccccc3c12.
What is the InChIKey of 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine?
The InChIKey is DUBOJISBLBCVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2O2/c1-3-28-38(26-13-5-4-6-14-26)42-41(43-39(28)31-17-11-19-34-37(31)30-16-9-10-18-33(30)44-34)27-22-24(2)36-32-21-20-25-12-7-8-15-29(25)40(32)45-35(36)23-27/h4-23,28,39H,3H2,1-2H3.
What are the key properties of 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine?
4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine has a molecular weight of 582.70 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine is sourced from PubChem (CID 155038154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).