2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine

C43H29N3O — CID 170371658

IUPAC2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
SMILESC1=CC2Oc3cc(-c4ccncc4-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc6ccccc6c5)n4)ccc3C2C=C1
InChIInChI=1S/C43H29N3O/c1-2-8-28(9-3-1)30-14-17-31(18-15-30)39-26-40(34-19-16-29-10-4-5-11-32(29)24-34)46-43(45-39)38-27-44-23-22-35(38)33-20-21-37-36-12-6-7-13-41(36)47-42(37)25-33/h1-27,36,41H
InChIKeyROEKRJUCWXKSOP-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.33
Rot. Bonds5

About 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine

2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine (PubChem CID 170371658) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
PubChem CID170371658
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
SMILESC1=CC2Oc3cc(-c4ccncc4-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc6ccccc6c5)n4)ccc3C2C=C1
InChIInChI=1S/C43H29N3O/c1-2-8-28(9-3-1)30-14-17-31(18-15-30)39-26-40(34-19-16-29-10-4-5-11-32(29)24-34)46-43(45-39)38-27-44-23-22-35(38)33-20-21-37-36-12-6-7-13-41(36)47-42(37)25-33/h1-27,36,41H
InChIKeyROEKRJUCWXKSOP-UHFFFAOYSA-N
XLogP10.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(5a,9a-dihydrodibenzofuran-3-yl)dibenzofuran-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170245080
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170301858
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 171832621
2-[3-(5a,9a-dihydrodibenzofuran-3-yl)dibenzofuran-1-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 170245066
4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
CID 158962834
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170301918
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine (CID 170371658) is 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine is C1=CC2Oc3cc(-c4ccncc4-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc6ccccc6c5)n4)ccc3C2C=C1.
What is the InChIKey of 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ROEKRJUCWXKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-2-8-28(9-3-1)30-14-17-31(18-15-30)39-26-40(34-19-16-29-10-4-5-11-32(29)24-34)46-43(45-39)38-27-44-23-22-35(38)33-20-21-37-36-12-6-7-13-41(36)47-42(37)25-33/h1-27,36,41H.
What are the key properties of 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine?
2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 603.73 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5a,9a-dihydrodibenzofuran-3-yl)-3-pyridinyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 170371658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).