2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine

C61H40N2 — CID 168777347

IUPAC2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5c-6ccc6ccccc56)c5ccccc45)n3)c2)cc1
InChIInChI=1S/C61H40N2/c1-5-19-41(20-6-1)44-24-17-25-45(39-44)57-40-56(43-22-7-2-8-23-43)62-60(63-57)55-38-37-51(49-31-15-16-32-50(49)55)52-33-18-34-53-54-36-35-42-21-13-14-30-48(42)58(54)61(59(52)53,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-40H
InChIKeyKAPPHVNODQFNLV-UHFFFAOYSA-N
MW801.00 g/mol
LogP15.48
Rot. Bonds7

About 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine

2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 168777347) has the molecular formula C61H40N2 and a molecular weight of 801.00 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID168777347
Molecular FormulaC61H40N2
Molecular Weight801.00 g/mol
Exact Mass800.32
IUPAC Name2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5c-6ccc6ccccc56)c5ccccc45)n3)c2)cc1
InChIInChI=1S/C61H40N2/c1-5-19-41(20-6-1)44-24-17-25-45(39-44)57-40-56(43-22-7-2-8-23-43)62-60(63-57)55-38-37-51(49-31-15-16-32-50(49)55)52-33-18-34-53-54-36-35-42-21-13-14-30-48(42)58(54)61(59(52)53,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-40H
InChIKeyKAPPHVNODQFNLV-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-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778942
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-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060
4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778731
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777291
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168776834
2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-3-yl)-6-phenylpyrimidine
CID 168778106
2-[4-(11,11-diphenylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168777997
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-1-yl)-6-phenylpyrimidine
CID 168778945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine (CID 168777347) is 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5c-6ccc6ccccc56)c5ccccc45)n3)c2)cc1.
What is the InChIKey of 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is KAPPHVNODQFNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-19-41(20-6-1)44-24-17-25-45(39-44)57-40-56(43-22-7-2-8-23-43)62-60(63-57)55-38-37-51(49-31-15-16-32-50(49)55)52-33-18-34-53-54-36-35-42-21-13-14-30-48(42)58(54)61(59(52)53,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-40H.
What are the key properties of 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-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 2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 168777347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).