4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine

C63H44N2 — CID 168778978

IUPAC4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)cccc21
InChIInChI=1S/C63H44N2/c1-63(2)57-31-17-16-29-55(57)61-54(30-18-32-58(61)63)51-36-35-49(45-25-12-13-26-46(45)51)50-37-38-52(48-28-15-14-27-47(48)50)59-40-60(65-62(64-59)43-23-10-5-11-24-43)53-34-33-44(41-19-6-3-7-20-41)39-56(53)42-21-8-4-9-22-42/h3-40H,1-2H3
InChIKeyZYALSYXJYXDMAI-UHFFFAOYSA-N
MW829.06 g/mol
LogP16.76
Rot. Bonds7

About 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine

4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine (PubChem CID 168778978) has the molecular formula C63H44N2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
PubChem CID168778978
Molecular FormulaC63H44N2
Molecular Weight829.06 g/mol
Exact Mass828.35
IUPAC Name4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)cccc21
InChIInChI=1S/C63H44N2/c1-63(2)57-31-17-16-29-55(57)61-54(30-18-32-58(61)63)51-36-35-49(45-25-12-13-26-46(45)51)50-37-38-52(48-28-15-14-27-47(48)50)59-40-60(65-62(64-59)43-23-10-5-11-24-43)53-34-33-44(41-19-6-3-7-20-41)39-56(53)42-21-8-4-9-22-42/h3-40H,1-2H3
InChIKeyZYALSYXJYXDMAI-UHFFFAOYSA-N
XLogP16.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778711
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168778780
4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777628
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
4-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 176794007
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778323
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779685
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779810
4-dibenzothiophen-3-yl-6-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777142

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine (CID 168778978) is 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)cccc21.
What is the InChIKey of 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine?
The InChIKey is ZYALSYXJYXDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2/c1-63(2)57-31-17-16-29-55(57)61-54(30-18-32-58(61)63)51-36-35-49(45-25-12-13-26-46(45)51)50-37-38-52(48-28-15-14-27-47(48)50)59-40-60(65-62(64-59)43-23-10-5-11-24-43)53-34-33-44(41-19-6-3-7-20-41)39-56(53)42-21-8-4-9-22-42/h3-40H,1-2H3.
What are the key properties of 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine?
4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine has a molecular weight of 829.06 g/mol, XLogP of 16.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 168778978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).