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

C53H34N2 — CID 155465689

IUPAC2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6cccc7ccccc67)n5)cc4c32)cc1
InChIInChI=1S/C53H34N2/c1-3-18-41(19-4-1)53(42-20-5-2-6-21-42)48-25-12-11-23-44(48)46-31-30-37-27-29-40(33-47(37)51(46)53)52-54-49(39-28-26-35-14-7-8-16-38(35)32-39)34-50(55-52)45-24-13-17-36-15-9-10-22-43(36)45/h1-34H
InChIKeyUBXPJOOXJIXAIP-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.30
Rot. Bonds5

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

2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine (PubChem CID 155465689) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
PubChem CID155465689
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6cccc7ccccc67)n5)cc4c32)cc1
InChIInChI=1S/C53H34N2/c1-3-18-41(19-4-1)53(42-20-5-2-6-21-42)48-25-12-11-23-44(48)46-31-30-37-27-29-40(33-47(37)51(46)53)52-54-49(39-28-26-35-14-7-8-16-38(35)32-39)34-50(55-52)45-24-13-17-36-15-9-10-22-43(36)45/h1-34H
InChIKeyUBXPJOOXJIXAIP-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)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
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-phenanthren-9-yl-6-phenylpyrimidine
CID 155465811
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-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 168777945
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
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine (CID 155465689) is 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6cccc7ccccc67)n5)cc4c32)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The InChIKey is UBXPJOOXJIXAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-18-41(19-4-1)53(42-20-5-2-6-21-42)48-25-12-11-23-44(48)46-31-30-37-27-29-40(33-47(37)51(46)53)52-54-49(39-28-26-35-14-7-8-16-38(35)32-39)34-50(55-52)45-24-13-17-36-15-9-10-22-43(36)45/h1-34H.
What are the key properties of 2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-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-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 155465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).