N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C61H43N3O — CID 167067132

IUPACN-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)cccc21
InChIInChI=1S/C61H43N3O/c1-61(2)51-24-13-12-22-48(51)59-52(61)25-15-26-55(59)64(46-33-28-41(29-34-46)40-16-6-3-7-17-40)47-35-30-42(31-36-47)45-32-37-56-50(38-45)58-49(23-14-27-57(58)65-56)54-39-53(43-18-8-4-9-19-43)62-60(63-54)44-20-10-5-11-21-44/h3-39H,1-2H3
InChIKeyOBMTWODVNBMCOH-UHFFFAOYSA-N
MW834.04 g/mol
LogP16.49
Rot. Bonds8

About N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 167067132) has the molecular formula C61H43N3O and a molecular weight of 834.04 g/mol. Its IUPAC name is N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID167067132
Molecular FormulaC61H43N3O
Molecular Weight834.04 g/mol
Exact Mass833.34
IUPAC NameN-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)cccc21
InChIInChI=1S/C61H43N3O/c1-61(2)51-24-13-12-22-48(51)59-52(61)25-15-26-55(59)64(46-33-28-41(29-34-46)40-16-6-3-7-17-40)47-35-30-42(31-36-47)45-32-37-56-50(38-45)58-49(23-14-27-57(58)65-56)54-39-53(43-18-8-4-9-19-43)62-60(63-54)44-20-10-5-11-21-44/h3-39H,1-2H3
InChIKeyOBMTWODVNBMCOH-UHFFFAOYSA-N
XLogP16.49
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.04
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 163862815
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 142427405
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
CID 176917153
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171727220
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 118699638
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166565485
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 167067132) is N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)cccc21.
What is the InChIKey of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is OBMTWODVNBMCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3O/c1-61(2)51-24-13-12-22-48(51)59-52(61)25-15-26-55(59)64(46-33-28-41(29-34-46)40-16-6-3-7-17-40)47-35-30-42(31-36-47)45-32-37-56-50(38-45)58-49(23-14-27-57(58)65-56)54-39-53(43-18-8-4-9-19-43)62-60(63-54)44-20-10-5-11-21-44/h3-39H,1-2H3.
What are the key properties of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 834.04 g/mol, XLogP of 16.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 167067132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).