2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine

C49H34N2 — CID 176793430

IUPAC2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c3)cccc21
InChIInChI=1S/C49H34N2/c1-49(2)43-26-12-23-39(47(43)42-28-33-15-3-4-16-34(33)29-44(42)49)35-19-9-20-36(27-35)48-50-45(40-24-10-17-31-13-5-7-21-37(31)40)30-46(51-48)41-25-11-18-32-14-6-8-22-38(32)41/h3-30H,1-2H3
InChIKeyUFZOHKCYEAUICG-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.91
Rot. Bonds4

About 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine

2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 176793430) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID176793430
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c3)cccc21
InChIInChI=1S/C49H34N2/c1-49(2)43-26-12-23-39(47(43)42-28-33-15-3-4-16-34(33)29-44(42)49)35-19-9-20-36(27-35)48-50-45(40-24-10-17-31-13-5-7-21-37(31)40)30-46(51-48)41-25-11-18-32-14-6-8-22-38(32)41/h3-30H,1-2H3
InChIKeyUFZOHKCYEAUICG-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 176794950
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176793764
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794525
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134272072
2-[3-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]phenyl]-4,6-bis(2-phenylphenyl)pyrimidine
CID 176794726
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794151
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
2-[3-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyrimidine
CID 176793605
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 176794513
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076

Frequently Asked Questions

What is the IUPAC name of 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine (CID 176793430) is 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c3)cccc21.
What is the InChIKey of 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is UFZOHKCYEAUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)43-26-12-23-39(47(43)42-28-33-15-3-4-16-34(33)29-44(42)49)35-19-9-20-36(27-35)48-50-45(40-24-10-17-31-13-5-7-21-37(31)40)30-46(51-48)41-25-11-18-32-14-6-8-22-38(32)41/h3-30H,1-2H3.
What are the key properties of 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 650.83 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 176793430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).