4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole

C124H86N10O — CID 158039622

IUPAC4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccco5)n4)c3)c21.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc(-c4ccncc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C46H31N5.C41H30N2O.C37H25N3/c1-3-10-32(11-4-1)33-18-22-35(23-19-33)42-31-43(49-45(48-42)36-26-28-47-29-27-36)39-13-9-12-38(30-39)34-20-24-37(25-21-34)46-50-41-16-7-8-17-44(41)51(46)40-14-5-2-6-15-40;1-41(2)35-18-7-6-15-33(35)34-17-9-16-32(39(34)41)30-13-8-14-31(25-30)37-26-36(42-40(43-37)38-19-10-24-44-38)29-22-20-28(21-23-29)27-11-4-3-5-12-27;1-2-7-26(8-3-1)28-13-16-29(17-14-28)35-25-36(40-37(39-35)30-19-21-38-22-20-30)34-12-6-11-32(24-34)33-18-15-27-9-4-5-10-31(27)23-33/h1-31H;3-26H,1-2H3;1-25H
InChIKeyFIENWNGVFSNIOD-UHFFFAOYSA-N
MW1732.12 g/mol
LogP31.28
Rot. Bonds17

About 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole

4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole (PubChem CID 158039622) has the molecular formula C124H86N10O and a molecular weight of 1732.12 g/mol. Its IUPAC name is 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole
PubChem CID158039622
Molecular FormulaC124H86N10O
Molecular Weight1732.12 g/mol
Exact Mass1730.70
IUPAC Name4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccco5)n4)c3)c21.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc(-c4ccncc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C46H31N5.C41H30N2O.C37H25N3/c1-3-10-32(11-4-1)33-18-22-35(23-19-33)42-31-43(49-45(48-42)36-26-28-47-29-27-36)39-13-9-12-38(30-39)34-20-24-37(25-21-34)46-50-41-16-7-8-17-44(41)51(46)40-14-5-2-6-15-40;1-41(2)35-18-7-6-15-33(35)34-17-9-16-32(39(34)41)30-13-8-14-31(25-30)37-26-36(42-40(43-37)38-19-10-24-44-38)29-22-20-28(21-23-29)27-11-4-3-5-12-27;1-2-7-26(8-3-1)28-13-16-29(17-14-28)35-25-36(40-37(39-35)30-19-21-38-22-20-30)34-12-6-11-32(24-34)33-18-15-27-9-4-5-10-31(27)23-33/h1-31H;3-26H,1-2H3;1-25H
InChIKeyFIENWNGVFSNIOD-UHFFFAOYSA-N
XLogP31.28
TPSA134.08 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001732.12
LogP ≤ 531.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole with MolForge

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Related Compounds

4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine
CID 130465590
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130465630
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-phenyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 160948499
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
2-[3-(10,10-dimethyl-14,21-dinaphthalen-2-yl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)phenyl]-1-phenylbenzimidazole
CID 58411952

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole?
The IUPAC name of 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole (CID 158039622) is 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole.
What is the SMILES notation for 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole?
The canonical SMILES for 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole is CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccco5)n4)c3)c21.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc(-c4ccncc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccncc4)n3)cc2)cc1.
What is the InChIKey of 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole?
The InChIKey is FIENWNGVFSNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5.C41H30N2O.C37H25N3/c1-3-10-32(11-4-1)33-18-22-35(23-19-33)42-31-43(49-45(48-42)36-26-28-47-29-27-36)39-13-9-12-38(30-39)34-20-24-37(25-21-34)46-50-41-16-7-8-17-44(41)51(46)40-14-5-2-6-15-40;1-41(2)35-18-7-6-15-33(35)34-17-9-16-32(39(34)41)30-13-8-14-31(25-30)37-26-36(42-40(43-37)38-19-10-24-44-38)29-22-20-28(21-23-29)27-11-4-3-5-12-27;1-2-7-26(8-3-1)28-13-16-29(17-14-28)35-25-36(40-37(39-35)30-19-21-38-22-20-30)34-12-6-11-32(24-34)33-18-15-27-9-4-5-10-31(27)23-33/h1-31H;3-26H,1-2H3;1-25H.
What are the key properties of 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole?
4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole has a molecular weight of 1732.12 g/mol, XLogP of 31.28, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine;1-phenyl-2-[4-[3-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]phenyl]benzimidazole is sourced from PubChem (CID 158039622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).