5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole

C52H37N3O — CID 139556106

IUPAC5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole
SMILESC1=C(c2cccc3c2c2c(n3-c3cc(-c4cccc(-c5ccccc5)c4)cc4c3oc3ccccc34)=CCCC=2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C52H37N3O/c1-4-16-34(17-5-1)37-22-14-23-38(30-37)39-31-43-40-24-11-13-29-49(40)56-51(43)48(32-39)55-46-27-12-10-25-42(46)50-41(26-15-28-47(50)55)45-33-44(35-18-6-2-7-19-35)53-52(54-45)36-20-8-3-9-21-36/h1-9,11,13-33,52,54H,10,12H2
InChIKeyHRJMPBUMHRZYSW-UHFFFAOYSA-N
MW719.89 g/mol
LogP11.35
Rot. Bonds6

About 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole

5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole (PubChem CID 139556106) has the molecular formula C52H37N3O and a molecular weight of 719.89 g/mol. Its IUPAC name is 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole.

Molecular Properties

Compound Name5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole
PubChem CID139556106
Molecular FormulaC52H37N3O
Molecular Weight719.89 g/mol
Exact Mass719.29
IUPAC Name5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole
SMILESC1=C(c2cccc3c2c2c(n3-c3cc(-c4cccc(-c5ccccc5)c4)cc4c3oc3ccccc34)=CCCC=2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C52H37N3O/c1-4-16-34(17-5-1)37-22-14-23-38(30-37)39-31-43-40-24-11-13-29-49(40)56-51(43)48(32-39)55-46-27-12-10-25-42(46)50-41(26-15-28-47(50)55)45-33-44(35-18-6-2-7-19-35)53-52(54-45)36-20-8-3-9-21-36/h1-9,11,13-33,52,54H,10,12H2
InChIKeyHRJMPBUMHRZYSW-UHFFFAOYSA-N
XLogP11.35
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]dibenzofuran-4-yl]carbazole
CID 166961182
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246
4-[4-[9-[2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylphenyl]-6,7-dihydrocarbazol-4-yl]carbazol-9-yl]benzonitrile
CID 174270071
9-[9-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166859966
9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole
CID 163554743
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
CID 139556148
4,6-diphenyl-2-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,2-dihydropyrimidine
CID 167167379
CID 166902294
CID 166902294
6-[6,8-bis(4-pyridin-4-ylphenyl)dibenzofuran-1-yl]-4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2-dihydropyrimidine
CID 163529513
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole?
The IUPAC name of 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole (CID 139556106) is 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole.
What is the SMILES notation for 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole?
The canonical SMILES for 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole is C1=C(c2cccc3c2c2c(n3-c3cc(-c4cccc(-c5ccccc5)c4)cc4c3oc3ccccc34)=CCCC=2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole?
The InChIKey is HRJMPBUMHRZYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O/c1-4-16-34(17-5-1)37-22-14-23-38(30-37)39-31-43-40-24-11-13-29-49(40)56-51(43)48(32-39)55-46-27-12-10-25-42(46)50-41(26-15-28-47(50)55)45-33-44(35-18-6-2-7-19-35)53-52(54-45)36-20-8-3-9-21-36/h1-9,11,13-33,52,54H,10,12H2.
What are the key properties of 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole?
5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole has a molecular weight of 719.89 g/mol, XLogP of 11.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole is sourced from PubChem (CID 139556106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).