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

C65H42N2 — CID 168776653

IUPAC2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5c-6ccc6ccccc56)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C65H42N2/c1-5-21-44(22-6-1)60-42-61(45-23-7-2-8-24-45)67-64(66-60)59-41-40-54(51-32-17-18-33-52(51)59)53-38-39-55(50-31-16-15-30-49(50)53)56-34-19-35-57-58-37-36-43-20-13-14-29-48(43)62(58)65(63(56)57,46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-42H
InChIKeyIEGPKHCGBFTDKD-UHFFFAOYSA-N
MW851.07 g/mol
LogP16.63
Rot. Bonds7

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

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine (PubChem CID 168776653) has the molecular formula C65H42N2 and a molecular weight of 851.07 g/mol. Its IUPAC name is 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
PubChem CID168776653
Molecular FormulaC65H42N2
Molecular Weight851.07 g/mol
Exact Mass850.33
IUPAC Name2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5c-6ccc6ccccc56)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C65H42N2/c1-5-21-44(22-6-1)60-42-61(45-23-7-2-8-24-45)67-64(66-60)59-41-40-54(51-32-17-18-33-52(51)59)53-38-39-55(50-31-16-15-30-49(50)53)56-34-19-35-57-58-37-36-43-20-13-14-29-48(43)62(58)65(63(56)57,46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-42H
InChIKeyIEGPKHCGBFTDKD-UHFFFAOYSA-N
XLogP16.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.07
LogP ≤ 516.63
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-(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-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778731
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060
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-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-1-yl)-6-phenylpyrimidine
CID 168778945
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779212
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine (CID 168776653) is 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5c-6ccc6ccccc56)c5ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine?
The InChIKey is IEGPKHCGBFTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2/c1-5-21-44(22-6-1)60-42-61(45-23-7-2-8-24-45)67-64(66-60)59-41-40-54(51-32-17-18-33-52(51)59)53-38-39-55(50-31-16-15-30-49(50)53)56-34-19-35-57-58-37-36-43-20-13-14-29-48(43)62(58)65(63(56)57,46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-42H.
What are the key properties of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine?
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine has a molecular weight of 851.07 g/mol, XLogP of 16.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 168776653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).