2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine

C49H32N2O — CID 176632239

IUPAC2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
SMILESC1=Cc2c(-c3ccccc3)ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)c2C=CC1
InChIInChI=1S/C49H32N2O/c1-4-14-32(15-5-1)35-25-27-41(39-19-9-3-8-18-37(35)39)46-31-45(33-16-6-2-7-17-33)50-49(51-46)43-28-26-36(38-20-10-11-21-40(38)43)34-24-29-48-44(30-34)42-22-12-13-23-47(42)52-48/h1-2,4-31H,3H2
InChIKeyUPNRPFGHDMROBC-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.29
Rot. Bonds5

About 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine

2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine (PubChem CID 176632239) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
PubChem CID176632239
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
SMILESC1=Cc2c(-c3ccccc3)ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)c2C=CC1
InChIInChI=1S/C49H32N2O/c1-4-14-32(15-5-1)35-25-27-41(39-19-9-3-8-18-37(35)39)46-31-45(33-16-6-2-7-17-33)50-49(51-46)43-28-26-36(38-20-10-11-21-40(38)43)34-24-29-48-44(30-34)42-22-12-13-23-47(42)52-48/h1-2,4-31H,3H2
InChIKeyUPNRPFGHDMROBC-UHFFFAOYSA-N
XLogP13.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine
CID 176632635
2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 174246012
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
2-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
CID 176632667
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
CID 174327712
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130263336
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 176632723
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine?
The IUPAC name of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine (CID 176632239) is 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine.
What is the SMILES notation for 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine?
The canonical SMILES for 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine is C1=Cc2c(-c3ccccc3)ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)c2C=CC1.
What is the InChIKey of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine?
The InChIKey is UPNRPFGHDMROBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-4-14-32(15-5-1)35-25-27-41(39-19-9-3-8-18-37(35)39)46-31-45(33-16-6-2-7-17-33)50-49(51-46)43-28-26-36(38-20-10-11-21-40(38)43)34-24-29-48-44(30-34)42-22-12-13-23-47(42)52-48/h1-2,4-31H,3H2.
What are the key properties of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine?
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine has a molecular weight of 664.81 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine is sourced from PubChem (CID 176632239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).