4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine

C45H32N2 — CID 170409613

IUPAC4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc13)c1ccccc21
InChIInChI=1S/C45H32N2/c1-45(2)39-24-14-13-23-37(39)43-36-22-12-11-21-33(36)38(27-40(43)45)34-25-26-35(32-20-10-9-19-31(32)34)42-28-41(29-15-5-3-6-16-29)46-44(47-42)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyXBHQPZRJMYXFQJ-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.76
Rot. Bonds4

About 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine

4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine (PubChem CID 170409613) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
PubChem CID170409613
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc13)c1ccccc21
InChIInChI=1S/C45H32N2/c1-45(2)39-24-14-13-23-37(39)43-36-22-12-11-21-33(36)38(27-40(43)45)34-25-26-35(32-20-10-9-19-31(32)34)42-28-41(29-15-5-3-6-16-29)46-44(47-42)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyXBHQPZRJMYXFQJ-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778978
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4-pyridin-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 122431231
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-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 153302478
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168778658

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine (CID 170409613) is 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc13)c1ccccc21.
What is the InChIKey of 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
The InChIKey is XBHQPZRJMYXFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)39-24-14-13-23-37(39)43-36-22-12-11-21-33(36)38(27-40(43)45)34-25-26-35(32-20-10-9-19-31(32)34)42-28-41(29-15-5-3-6-16-29)46-44(47-42)30-17-7-4-8-18-30/h3-28H,1-2H3.
What are the key properties of 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine has a molecular weight of 600.77 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 170409613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).