8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline

C48H33N3 — CID 168776683

IUPAC8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc6cccnc56)nc(-c5ccccc5)n4)c4ccccc34)c2-c2ccc3ccccc3c21
InChIInChI=1S/C48H33N3/c1-48(2)41-23-11-21-38(44(41)40-25-24-30-13-6-7-18-33(30)45(40)48)36-26-27-37(35-20-9-8-19-34(35)36)42-29-43(51-47(50-42)32-14-4-3-5-15-32)39-22-10-16-31-17-12-28-49-46(31)39/h3-29H,1-2H3
InChIKeyARTUMXUIFJEQOP-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.31
Rot. Bonds4

About 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline

8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline (PubChem CID 168776683) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline.

Molecular Properties

Compound Name8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline
PubChem CID168776683
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc6cccnc56)nc(-c5ccccc5)n4)c4ccccc34)c2-c2ccc3ccccc3c21
InChIInChI=1S/C48H33N3/c1-48(2)41-23-11-21-38(44(41)40-25-24-30-13-6-7-18-33(30)45(40)48)36-26-27-37(35-20-9-8-19-34(35)36)42-29-43(51-47(50-42)32-14-4-3-5-15-32)39-22-10-16-31-17-12-28-49-46(31)39/h3-29H,1-2H3
InChIKeyARTUMXUIFJEQOP-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777372
2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168776769
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 146632009
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777069
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776985
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 168779125
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167344555
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779810
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779314
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302

Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline?
The IUPAC name of 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline (CID 168776683) is 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline.
What is the SMILES notation for 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline?
The canonical SMILES for 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline is CC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc6cccnc56)nc(-c5ccccc5)n4)c4ccccc34)c2-c2ccc3ccccc3c21.
What is the InChIKey of 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline?
The InChIKey is ARTUMXUIFJEQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-48(2)41-23-11-21-38(44(41)40-25-24-30-13-6-7-18-33(30)45(40)48)36-26-27-37(35-20-9-8-19-34(35)36)42-29-43(51-47(50-42)32-14-4-3-5-15-32)39-22-10-16-31-17-12-28-49-46(31)39/h3-29H,1-2H3.
What are the key properties of 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline?
8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline has a molecular weight of 651.81 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline is sourced from PubChem (CID 168776683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).