4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine

C61H40N2 — CID 168778731

IUPAC4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-20-41(21-6-1)46-29-15-18-33-51(46)56-40-57(63-60(62-56)43-23-7-2-8-24-43)52-39-38-50(48-31-16-17-32-49(48)52)53-34-19-35-54-55-37-36-42-22-13-14-30-47(42)58(55)61(59(53)54,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-40H
InChIKeyVESZAYATSTUXEC-UHFFFAOYSA-N
MW801.00 g/mol
LogP15.48
Rot. Bonds7

About 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine

4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168778731) has the molecular formula C61H40N2 and a molecular weight of 801.00 g/mol. Its IUPAC name is 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168778731
Molecular FormulaC61H40N2
Molecular Weight801.00 g/mol
Exact Mass800.32
IUPAC Name4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-20-41(21-6-1)46-29-15-18-33-51(46)56-40-57(63-60(62-56)43-23-7-2-8-24-43)52-39-38-50(48-31-16-17-32-49(48)52)53-34-19-35-54-55-37-36-42-22-13-14-30-47(42)58(55)61(59(53)54,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-40H
InChIKeyVESZAYATSTUXEC-UHFFFAOYSA-N
XLogP15.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.00
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168776653
2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778942
4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779543
2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777347
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776629
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
4-(11,11-diphenylbenzo[a]fluoren-4-yl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 155465812
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168780089
2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779212
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 168779171

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168778731) is 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is VESZAYATSTUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-20-41(21-6-1)46-29-15-18-33-51(46)56-40-57(63-60(62-56)43-23-7-2-8-24-43)52-39-38-50(48-31-16-17-32-49(48)52)53-34-19-35-54-55-37-36-42-22-13-14-30-47(42)58(55)61(59(53)54,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-40H.
What are the key properties of 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 801.00 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168778731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).