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

C49H32N2 — CID 155465809

IUPAC2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C49H32N2/c1-4-16-34(17-5-1)45-32-46(42-25-14-18-33-15-10-11-23-39(33)42)51-48(50-45)36-28-29-40-35(31-36)27-30-43-41-24-12-13-26-44(41)49(47(40)43,37-19-6-2-7-20-37)38-21-8-3-9-22-38/h1-32H
InChIKeyRFNGLJOGJVBKJN-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.15
Rot. Bonds5

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

2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 155465809) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID155465809
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C49H32N2/c1-4-16-34(17-5-1)45-32-46(42-25-14-18-33-15-10-11-23-39(33)42)51-48(50-45)36-28-29-40-35(31-36)27-30-43-41-24-12-13-26-44(41)49(47(40)43,37-19-6-2-7-20-37)38-21-8-3-9-22-38/h1-32H
InChIKeyRFNGLJOGJVBKJN-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.15
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-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 155465689
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenanthren-9-yl-6-phenylpyrimidine
CID 155465811
4-(11,11-diphenylbenzo[a]fluoren-4-yl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 155465812
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
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-[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
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine (CID 155465809) is 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is RFNGLJOGJVBKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-4-16-34(17-5-1)45-32-46(42-25-14-18-33-15-10-11-23-39(33)42)51-48(50-45)36-28-29-40-35(31-36)27-30-43-41-24-12-13-26-44(41)49(47(40)43,37-19-6-2-7-20-37)38-21-8-3-9-22-38/h1-32H.
What are the key properties of 2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine?
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine has a molecular weight of 648.81 g/mol, XLogP of 12.15, 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-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 155465809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).