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

C43H30N2 — CID 176794950

IUPAC2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cccc21
InChIInChI=1S/C43H30N2/c1-43(2)37-23-11-22-35(41(37)36-24-29-14-3-4-15-30(29)25-38(36)43)42-44-39(33-20-9-16-27-12-5-7-18-31(27)33)26-40(45-42)34-21-10-17-28-13-6-8-19-32(28)34/h3-26H,1-2H3
InChIKeyBUQUDTJKAOWLDJ-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.24
Rot. Bonds3

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

2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 176794950) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID176794950
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cccc21
InChIInChI=1S/C43H30N2/c1-43(2)37-23-11-22-35(41(37)36-24-29-14-3-4-15-30(29)25-38(36)43)42-44-39(33-20-9-16-27-12-5-7-18-31(27)33)26-40(45-42)34-21-10-17-28-13-6-8-19-32(28)34/h3-26H,1-2H3
InChIKeyBUQUDTJKAOWLDJ-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
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
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-ylpyrimidine
CID 176793607
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(2-phenanthren-4-ylphenyl)-2-phenylpyrimidine
CID 176795010
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793652

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine (CID 176794950) is 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cccc21.
What is the InChIKey of 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is BUQUDTJKAOWLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)37-23-11-22-35(41(37)36-24-29-14-3-4-15-30(29)25-38(36)43)42-44-39(33-20-9-16-27-12-5-7-18-31(27)33)26-40(45-42)34-21-10-17-28-13-6-8-19-32(28)34/h3-26H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine?
2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 574.73 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 176794950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).