9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole

C40H27N3O — CID 166670199

IUPAC9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccccc2)=NC1c1cccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c12
InChIInChI=1S/C40H27N3O/c1-3-13-26(14-4-1)32-25-33(42-40(41-32)27-15-5-2-6-16-27)30-19-12-24-37-38(30)31-20-11-23-36(39(31)44-37)43-34-21-9-7-17-28(34)29-18-8-10-22-35(29)43/h1-25,33H,(H,41,42)
InChIKeyXZHHDJLJODAZOK-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.82
Rot. Bonds4

About 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole

9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole (PubChem CID 166670199) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
PubChem CID166670199
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccccc2)=NC1c1cccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c12
InChIInChI=1S/C40H27N3O/c1-3-13-26(14-4-1)32-25-33(42-40(41-32)27-15-5-2-6-16-27)30-19-12-24-37-38(30)31-20-11-23-36(39(31)44-37)43-34-21-9-7-17-28(34)29-18-8-10-22-35(29)43/h1-25,33H,(H,41,42)
InChIKeyXZHHDJLJODAZOK-UHFFFAOYSA-N
XLogP9.82
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 167233528
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
9-[3-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
CID 129305340
9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
CID 123838452
9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
CID 167032747
9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
CID 59147591
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337573
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole (CID 166670199) is 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole is C1=C(c2ccccc2)NC(c2ccccc2)=NC1c1cccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c12.
What is the InChIKey of 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is XZHHDJLJODAZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-3-13-26(14-4-1)32-25-33(42-40(41-32)27-15-5-2-6-16-27)30-19-12-24-37-38(30)31-20-11-23-36(39(31)44-37)43-34-21-9-7-17-28(34)29-18-8-10-22-35(29)43/h1-25,33H,(H,41,42).
What are the key properties of 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole?
9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 565.68 g/mol, XLogP of 9.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166670199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).