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

C53H34N2 — CID 155465679

IUPAC2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc4c32)cc1
InChIInChI=1S/C53H34N2/c1-3-19-39(20-4-1)53(40-21-5-2-6-22-40)48-28-12-11-25-44(48)47-32-29-37-33-38(30-31-43(37)51(47)53)52-54-49(45-26-13-17-35-15-7-9-23-41(35)45)34-50(55-52)46-27-14-18-36-16-8-10-24-42(36)46/h1-34H
InChIKeyHEDZOMZHTWNZBL-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.30
Rot. Bonds5

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

2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 155465679) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID155465679
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc4c32)cc1
InChIInChI=1S/C53H34N2/c1-3-19-39(20-4-1)53(40-21-5-2-6-22-40)48-28-12-11-25-44(48)47-32-29-37-33-38(30-31-43(37)51(47)53)52-54-49(45-26-13-17-35-15-7-9-23-41(35)45)34-50(55-52)46-27-14-18-36-16-8-10-24-42(36)46/h1-34H
InChIKeyHEDZOMZHTWNZBL-UHFFFAOYSA-N
XLogP13.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 155465689
4-(11,11-diphenylbenzo[a]fluoren-4-yl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 155465812
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160936600
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenanthren-9-yl-6-phenylpyrimidine
CID 155465811
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine (CID 155465679) is 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc4c32)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is HEDZOMZHTWNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-19-39(20-4-1)53(40-21-5-2-6-22-40)48-28-12-11-25-44(48)47-32-29-37-33-38(30-31-43(37)51(47)53)52-54-49(45-26-13-17-35-15-7-9-23-41(35)45)34-50(55-52)46-27-14-18-36-16-8-10-24-42(36)46/h1-34H.
What are the key properties of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine?
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 698.87 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 155465679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).