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

C42H27N3O — CID 118229522

IUPAC6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7occc7ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C42H27N3O/c1-3-10-28(11-4-1)29-18-20-31(21-19-29)37-27-36(30-12-5-2-6-13-30)43-42(44-37)33-14-9-15-34(26-33)45-38-17-8-7-16-35(38)40-39(45)23-22-32-24-25-46-41(32)40/h1-27H
InChIKeyHEYJCJUSMFJNNX-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.99
Rot. Bonds5

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

6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole (PubChem CID 118229522) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
PubChem CID118229522
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7occc7ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C42H27N3O/c1-3-10-28(11-4-1)29-18-20-31(21-19-29)37-27-36(30-12-5-2-6-13-30)43-42(44-37)33-14-9-15-34(26-33)45-38-17-8-7-16-35(38)40-39(45)23-22-32-24-25-46-41(32)40/h1-27H
InChIKeyHEYJCJUSMFJNNX-UHFFFAOYSA-N
XLogP10.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]furo[3,2-c]carbazole
CID 118229450
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
6-(3,5-diphenylphenyl)furo[3,2-c]carbazole;6-phenylfuro[3,2-c]carbazole;6-(3-phenylphenyl)furo[3,2-c]carbazole;6-(4-phenylphenyl)furo[3,2-c]carbazole
CID 159669938
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 160615868
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-[4-(1,2-dihydropyridin-4-yl)phenyl]pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118228596
6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole
CID 157354749
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 118228651
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)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 158955537
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 159252427
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118227981

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The IUPAC name of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole (CID 118229522) is 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7occc7ccc65)c4)n3)cc2)cc1.
What is the InChIKey of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The InChIKey is HEYJCJUSMFJNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-3-10-28(11-4-1)29-18-20-31(21-19-29)37-27-36(30-12-5-2-6-13-30)43-42(44-37)33-14-9-15-34(26-33)45-38-17-8-7-16-35(38)40-39(45)23-22-32-24-25-46-41(32)40/h1-27H.
What are the key properties of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole has a molecular weight of 589.70 g/mol, XLogP of 10.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 118229522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).