4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine

C54H40N2 — CID 168779125

IUPAC4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc6c5C(C)(C)c5ccccc5-6)nc(-c5ccccc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21
InChIInChI=1S/C54H40N2/c1-53(2)45-27-15-23-41(50(45)49-35-19-9-8-16-33(35)28-31-46(49)53)38-29-30-40(37-21-11-10-20-36(37)38)47-32-48(56-52(55-47)34-17-6-5-7-18-34)43-25-14-24-42-39-22-12-13-26-44(39)54(3,4)51(42)43/h5-32H,1-4H3
InChIKeyDWIKYKBLDSKYSV-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.06
Rot. Bonds4

About 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine (PubChem CID 168779125) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
PubChem CID168779125
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc6c5C(C)(C)c5ccccc5-6)nc(-c5ccccc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21
InChIInChI=1S/C54H40N2/c1-53(2)45-27-15-23-41(50(45)49-35-19-9-8-16-33(35)28-31-46(49)53)38-29-30-40(37-21-11-10-20-36(37)38)47-32-48(56-52(55-47)34-17-6-5-7-18-34)43-25-14-24-42-39-22-12-13-26-44(39)54(3,4)51(42)43/h5-32H,1-4H3
InChIKeyDWIKYKBLDSKYSV-UHFFFAOYSA-N
XLogP14.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779810
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-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 168778016
4-[4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168778143
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779314
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168779572
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidine
CID 168777891
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777667
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632096
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 168777005

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine (CID 168779125) is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine is CC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc6c5C(C)(C)c5ccccc5-6)nc(-c5ccccc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21.
What is the InChIKey of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
The InChIKey is DWIKYKBLDSKYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-53(2)45-27-15-23-41(50(45)49-35-19-9-8-16-33(35)28-31-46(49)53)38-29-30-40(37-21-11-10-20-36(37)38)47-32-48(56-52(55-47)34-17-6-5-7-18-34)43-25-14-24-42-39-22-12-13-26-44(39)54(3,4)51(42)43/h5-32H,1-4H3.
What are the key properties of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine has a molecular weight of 716.93 g/mol, XLogP of 14.06, 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-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 168779125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).