5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one

C46H36N4O — CID 172507328

IUPAC5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cccc(-c7ccccc7)c5-6)nc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C46H36N4O/c1-46(2)37-17-11-16-35(30-12-7-5-8-13-30)43(37)36-24-22-34(26-38(36)46)40-28-39(47-44(48-40)32-14-9-6-10-15-32)31-20-18-29(19-21-31)33-23-25-41-42(27-33)50(4)45(51)49(41)3/h5-28H,1-4H3
InChIKeyWHQNZKKBMFEOIV-UHFFFAOYSA-N
MW660.82 g/mol
LogP10.31
Rot. Bonds5

About 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one

5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 172507328) has the molecular formula C46H36N4O and a molecular weight of 660.82 g/mol. Its IUPAC name is 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID172507328
Molecular FormulaC46H36N4O
Molecular Weight660.82 g/mol
Exact Mass660.29
IUPAC Name5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cccc(-c7ccccc7)c5-6)nc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C46H36N4O/c1-46(2)37-17-11-16-35(30-12-7-5-8-13-30)43(37)36-24-22-34(26-38(36)46)40-28-39(47-44(48-40)32-14-9-6-10-15-32)31-20-18-29(19-21-31)33-23-25-41-42(27-33)50(4)45(51)49(41)3/h5-28H,1-4H3
InChIKeyWHQNZKKBMFEOIV-UHFFFAOYSA-N
XLogP10.31
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507756
5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485277
5-[4-[6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507719
1,3-dimethyl-5-[4-[2-(9-methyl-9-phenylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507770
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 176793784
1,3-dimethyl-5-[4-[2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507457
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
1,3-dimethyl-5-[4-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]benzimidazol-2-one
CID 172507309
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076
5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 172507658
5-[4-[4-[4-(2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485224
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (CID 172507328) is 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cccc(-c7ccccc7)c5-6)nc(-c5ccccc5)n4)cc3)ccc21.
What is the InChIKey of 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is WHQNZKKBMFEOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4O/c1-46(2)37-17-11-16-35(30-12-7-5-8-13-30)43(37)36-24-22-34(26-38(36)46)40-28-39(47-44(48-40)32-14-9-6-10-15-32)31-20-18-29(19-21-31)33-23-25-41-42(27-33)50(4)45(51)49(41)3/h5-28H,1-4H3.
What are the key properties of 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 660.82 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 172507328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).