N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine

C65H43NO — CID 167234337

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C65H43NO/c1-4-19-45(20-5-1)54-39-37-47(53-32-17-22-44-21-10-11-29-52(44)53)42-62(54)66(50-28-16-23-46(41-50)55-33-18-34-59-58-31-13-15-36-63(58)67-64(55)59)51-38-40-57-56-30-12-14-35-60(56)65(61(57)43-51,48-24-6-2-7-25-48)49-26-8-3-9-27-49/h1-43H
InChIKeyRLOBLIMHKNOYHA-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.57
Rot. Bonds8

About N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 167234337) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID167234337
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C65H43NO/c1-4-19-45(20-5-1)54-39-37-47(53-32-17-22-44-21-10-11-29-52(44)53)42-62(54)66(50-28-16-23-46(41-50)55-33-18-34-59-58-31-13-15-36-63(58)67-64(55)59)51-38-40-57-56-30-12-14-35-60(56)65(61(57)43-51,48-24-6-2-7-25-48)49-26-8-3-9-27-49/h1-43H
InChIKeyRLOBLIMHKNOYHA-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
CID 156896758
N-(3-dibenzofuran-4-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302589
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170676879
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170535410
9,9-diphenyl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)fluoren-2-amine
CID 171452110
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(5-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 167233836
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine (CID 167234337) is N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is RLOBLIMHKNOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-4-19-45(20-5-1)54-39-37-47(53-32-17-22-44-21-10-11-29-52(44)53)42-62(54)66(50-28-16-23-46(41-50)55-33-18-34-59-58-31-13-15-36-63(58)67-64(55)59)51-38-40-57-56-30-12-14-35-60(56)65(61(57)43-51,48-24-6-2-7-25-48)49-26-8-3-9-27-49/h1-43H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 854.07 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167234337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).