N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine

C70H49NO — CID 168839481

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c21
InChIInChI=1S/C70H49NO/c1-69(2)60-32-13-9-27-55(60)57-31-18-35-64(68(57)69)71(52-41-38-46(39-42-52)54-30-19-37-66-67(54)58-29-12-16-36-65(58)72-66)63-34-15-11-26-53(63)49-21-17-20-47(44-49)48-40-43-62-59(45-48)56-28-10-14-33-61(56)70(62,50-22-5-3-6-23-50)51-24-7-4-8-25-51/h3-45H,1-2H3
InChIKeyZHNANZHVVNJYDD-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.73
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine (PubChem CID 168839481) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine
PubChem CID168839481
Molecular FormulaC70H49NO
Molecular Weight920.17 g/mol
Exact Mass919.38
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c21
InChIInChI=1S/C70H49NO/c1-69(2)60-32-13-9-27-55(60)57-31-18-35-64(68(57)69)71(52-41-38-46(39-42-52)54-30-19-37-66-67(54)58-29-12-16-36-65(58)72-66)63-34-15-11-26-53(63)49-21-17-20-47(44-49)48-40-43-62-59(45-48)56-28-10-14-33-61(56)70(62,50-22-5-3-6-23-50)51-24-7-4-8-25-51/h3-45H,1-2H3
InChIKeyZHNANZHVVNJYDD-UHFFFAOYSA-N
XLogP18.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839679
N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168839779
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
CID 176583411
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162254274
2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine
CID 134195002
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine (CID 168839481) is N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine?
The InChIKey is ZHNANZHVVNJYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)60-32-13-9-27-55(60)57-31-18-35-64(68(57)69)71(52-41-38-46(39-42-52)54-30-19-37-66-67(54)58-29-12-16-36-65(58)72-66)63-34-15-11-26-53(63)49-21-17-20-47(44-49)48-40-43-62-59(45-48)56-28-10-14-33-61(56)70(62,50-22-5-3-6-23-50)51-24-7-4-8-25-51/h3-45H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine has a molecular weight of 920.17 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 168839481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).