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

C49H34N2 — CID 176793764

IUPAC2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cccc21
InChIInChI=1S/C49H34N2/c1-49(2)43-27-13-26-40(47(43)42-28-33-16-3-4-17-34(33)29-44(42)49)37-22-9-10-23-41(37)48-50-45(38-24-11-18-31-14-5-7-20-35(31)38)30-46(51-48)39-25-12-19-32-15-6-8-21-36(32)39/h3-30H,1-2H3
InChIKeyBQVMKWVWKJJPAP-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.91
Rot. Bonds4

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

2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 176793764) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID176793764
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cccc21
InChIInChI=1S/C49H34N2/c1-49(2)43-27-13-26-40(47(43)42-28-33-16-3-4-17-34(33)29-44(42)49)37-22-9-10-23-41(37)48-50-45(38-24-11-18-31-14-5-7-20-35(31)38)30-46(51-48)39-25-12-19-32-15-6-8-21-36(32)39/h3-30H,1-2H3
InChIKeyBQVMKWVWKJJPAP-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

2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 176794950
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794525
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794151
2-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176793430
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
2-[4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 176793951
4-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 176794007
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-ylpyrimidine
CID 176793607
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793652
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(2-phenanthren-4-ylphenyl)-2-phenylpyrimidine
CID 176795010
4-[2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2-phenyl-6-[2-(4-phenylphenyl)phenyl]pyrimidine
CID 176795039

Frequently Asked Questions

What is the IUPAC name of 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine (CID 176793764) is 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cccc21.
What is the InChIKey of 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is BQVMKWVWKJJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)43-27-13-26-40(47(43)42-28-33-16-3-4-17-34(33)29-44(42)49)37-22-9-10-23-41(37)48-50-45(38-24-11-18-31-14-5-7-20-35(31)38)30-46(51-48)39-25-12-19-32-15-6-8-21-36(32)39/h3-30H,1-2H3.
What are the key properties of 2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine?
2-[2-(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-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 176793764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).