1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline

C45H29N3O — CID 164716416

IUPAC1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)oc5c(-c6ccccc6)nc6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-5-16-30(17-6-1)38-29-39(48-45(47-38)33-22-11-4-12-23-33)34-24-15-25-35(28-34)40-41-36-26-13-14-27-37(36)46-42(31-18-7-2-8-19-31)44(41)49-43(40)32-20-9-3-10-21-32/h1-29H
InChIKeyIPTBSNXSZHFRSU-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline

1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline (PubChem CID 164716416) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline.

Molecular Properties

Compound Name1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline
PubChem CID164716416
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)oc5c(-c6ccccc6)nc6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-5-16-30(17-6-1)38-29-39(48-45(47-38)33-22-11-4-12-23-33)34-24-15-25-35(28-34)40-41-36-26-13-14-27-37(36)46-42(31-18-7-2-8-19-31)44(41)49-43(40)32-20-9-3-10-21-32/h1-29H
InChIKeyIPTBSNXSZHFRSU-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline with MolForge

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Related Compounds

2,4-diphenyl-1-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716946
1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716835
2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
CID 164716397
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
CID 165077999
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
CID 164716960
3,4-diphenyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716638
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
CID 164716664
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
CID 164716769
3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716850
8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 165010573
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-naphthalen-1-yl-4-phenylfuro[3,2-c]quinoline
CID 164716685
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline?
The IUPAC name of 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline (CID 164716416) is 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline.
What is the SMILES notation for 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline?
The canonical SMILES for 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline is c1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)oc5c(-c6ccccc6)nc6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline?
The InChIKey is IPTBSNXSZHFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-5-16-30(17-6-1)38-29-39(48-45(47-38)33-22-11-4-12-23-33)34-24-15-25-35(28-34)40-41-36-26-13-14-27-37(36)46-42(31-18-7-2-8-19-31)44(41)49-43(40)32-20-9-3-10-21-32/h1-29H.
What are the key properties of 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline?
1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline is sourced from PubChem (CID 164716416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).