2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole

C48H31N3O — CID 118229660

IUPAC2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C48H31N3O/c1-5-15-32(16-6-1)33-25-27-34(28-26-33)40-31-43(50-48(49-40)37-21-11-4-12-22-37)51-41-24-14-13-23-38(41)45-42(51)30-29-39-44(35-17-7-2-8-18-35)46(52-47(39)45)36-19-9-3-10-20-36/h1-31H
InChIKeyPLWSWGRKEHGPPA-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.65
Rot. Bonds6

About 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole

2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole (PubChem CID 118229660) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
PubChem CID118229660
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C48H31N3O/c1-5-15-32(16-6-1)33-25-27-34(28-26-33)40-31-43(50-48(49-40)37-21-11-4-12-22-37)51-41-24-14-13-23-38(41)45-42(51)30-29-39-44(35-17-7-2-8-18-35)46(52-47(39)45)36-19-9-3-10-20-36/h1-31H
InChIKeyPLWSWGRKEHGPPA-UHFFFAOYSA-N
XLogP12.65
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 162158013
9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385468
6-(2,6-diphenyl-4-pyridinyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-(2,6-diphenylpyrimidin-4-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-(4,6-diphenylpyrimidin-2-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-phenyl-24-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 159641488
22-(2,6-diphenylpyrimidin-4-yl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 145105436
7-(2,6-diphenylpyrimidin-4-yl)-3-phenanthren-2-ylbenzo[c]carbazole
CID 130350785
6-(2,6-diphenylpyrimidin-4-yl)-1,6-diazaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-2(14),3,5(13),7,9,11,15,17,19,21,23,25,27-tridecaene
CID 118331121
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
7-(2,6-diphenylpyrimidin-4-yl)-2-phenanthren-9-ylbenzo[c]carbazole
CID 131979584
9-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158042486

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole?
The IUPAC name of 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole (CID 118229660) is 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole.
What is the SMILES notation for 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole?
The canonical SMILES for 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole?
The InChIKey is PLWSWGRKEHGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-5-15-32(16-6-1)33-25-27-34(28-26-33)40-31-43(50-48(49-40)37-21-11-4-12-22-37)51-41-24-14-13-23-38(41)45-42(51)30-29-39-44(35-17-7-2-8-18-35)46(52-47(39)45)36-19-9-3-10-20-36/h1-31H.
What are the key properties of 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole?
2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole has a molecular weight of 665.80 g/mol, XLogP of 12.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole is sourced from PubChem (CID 118229660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).