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

C43H30N2 — CID 155465661

IUPAC2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)ccc3c21
InChIInChI=1S/C43H30N2/c1-43(2)38-20-8-7-17-34(38)37-24-21-29-25-30(22-23-33(29)41(37)43)42-44-39(35-18-9-13-27-11-3-5-15-31(27)35)26-40(45-42)36-19-10-14-28-12-4-6-16-32(28)36/h3-26H,1-2H3
InChIKeyBOONPRYDUJNDOQ-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.24
Rot. Bonds3

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

2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 155465661) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID155465661
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)ccc3c21
InChIInChI=1S/C43H30N2/c1-43(2)38-20-8-7-17-34(38)37-24-21-29-25-30(22-23-33(29)41(37)43)42-44-39(35-18-9-13-27-11-3-5-15-31(27)35)26-40(45-42)36-19-10-14-28-12-4-6-16-32(28)36/h3-26H,1-2H3
InChIKeyBOONPRYDUJNDOQ-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

4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779418
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779226
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824
2-[2-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-di(phenanthren-2-yl)-1,3,5-triazine
CID 118426887
2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 58880915
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidine
CID 168777891
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778841
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777667

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine (CID 155465661) is 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2ccccc2-c2ccc3cc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)ccc3c21.
What is the InChIKey of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is BOONPRYDUJNDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)38-20-8-7-17-34(38)37-24-21-29-25-30(22-23-33(29)41(37)43)42-44-39(35-18-9-13-27-11-3-5-15-31(27)35)26-40(45-42)36-19-10-14-28-12-4-6-16-32(28)36/h3-26H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
2-(11,11-dimethylbenzo[a]fluoren-3-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[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 155465661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).