N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine

C66H45NO — CID 171740826

IUPACN-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H45NO/c1-44-16-15-26-61-65(44)57-38-37-55(43-62(57)66(61,51-21-7-3-8-22-51)52-23-9-4-10-24-52)67(53-33-28-45(29-34-53)50-32-39-64-60(42-50)56-25-13-14-27-63(56)68-64)54-35-30-47(31-36-54)59-41-49-20-12-11-19-48(49)40-58(59)46-17-5-2-6-18-46/h2-43H,1H3
InChIKeyADXBSRJLPUHKOG-UHFFFAOYSA-N
MW868.09 g/mol
LogP17.88
Rot. Bonds8

About N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine

N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 171740826) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID171740826
Molecular FormulaC66H45NO
Molecular Weight868.09 g/mol
Exact Mass867.35
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H45NO/c1-44-16-15-26-61-65(44)57-38-37-55(43-62(57)66(61,51-21-7-3-8-22-51)52-23-9-4-10-24-52)67(53-33-28-45(29-34-53)50-32-39-64-60(42-50)56-25-13-14-27-63(56)68-64)54-35-30-47(31-36-54)59-41-49-20-12-11-19-48(49)40-58(59)46-17-5-2-6-18-46/h2-43H,1H3
InChIKeyADXBSRJLPUHKOG-UHFFFAOYSA-N
XLogP17.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.09
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
CID 171741158
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 177098579
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 135193217
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (CID 171740826) is N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is ADXBSRJLPUHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-44-16-15-26-61-65(44)57-38-37-55(43-62(57)66(61,51-21-7-3-8-22-51)52-23-9-4-10-24-52)67(53-33-28-45(29-34-53)50-32-39-64-60(42-50)56-25-13-14-27-63(56)68-64)54-35-30-47(31-36-54)59-41-49-20-12-11-19-48(49)40-58(59)46-17-5-2-6-18-46/h2-43H,1H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 868.09 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171740826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).