4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine

C47H32N2O — CID 176794212

IUPAC4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H32N2O/c1-47(2)39-21-12-20-37(45(39)38-25-30-15-6-7-16-31(30)26-40(38)47)33-17-8-9-18-34(33)42-28-41(48-46(49-42)29-13-4-3-5-14-29)32-23-24-36-35-19-10-11-22-43(35)50-44(36)27-32/h3-28H,1-2H3
InChIKeyJJOXZUJHBRGYKF-UHFFFAOYSA-N
MW640.79 g/mol
LogP12.50
Rot. Bonds4

About 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine

4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 176794212) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID176794212
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC Name4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H32N2O/c1-47(2)39-21-12-20-37(45(39)38-25-30-15-6-7-16-31(30)26-40(38)47)33-17-8-9-18-34(33)42-28-41(48-46(49-42)29-13-4-3-5-14-29)32-23-24-36-35-19-10-11-22-43(35)50-44(36)27-32/h3-28H,1-2H3
InChIKeyJJOXZUJHBRGYKF-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidine
CID 176794397
4-[3-dibenzofuran-3-yl-5-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176795036
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794241
4-(4-dibenzofuran-2-ylphenyl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794760
4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(4-phenyldibenzofuran-2-yl)pyrimidine
CID 176794901
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-2-phenylpyrimidine
CID 176793586
4-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793640
4-(6-dibenzofuran-4-ylnaphthalen-2-yl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794281
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)phenyl]-2-phenylpyrimidine
CID 176793434
4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793512
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-naphtho[2,3-b][1]benzofuran-1-yl-2-phenylpyrimidine
CID 176793492
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-2-phenylpyrimidine
CID 176793361

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 176794212) is 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is JJOXZUJHBRGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-47(2)39-21-12-20-37(45(39)38-25-30-15-6-7-16-31(30)26-40(38)47)33-17-8-9-18-34(33)42-28-41(48-46(49-42)29-13-4-3-5-14-29)32-23-24-36-35-19-10-11-22-43(35)50-44(36)27-32/h3-28H,1-2H3.
What are the key properties of 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 640.79 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 176794212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).