N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine

C67H55NO — CID 170302160

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C67H55NO/c1-65(2,3)48-41-45(42-49(43-48)66(4,5)6)50-32-19-23-44-24-20-33-52(62(44)50)51-29-14-17-36-57(51)68(59-38-22-40-61-64(59)54-31-15-18-39-60(54)69-61)58-37-21-35-56-63(58)53-30-13-16-34-55(53)67(56,46-25-9-7-10-26-46)47-27-11-8-12-28-47/h7-43H,1-6H3
InChIKeyILYCERZWHIBTQV-UHFFFAOYSA-N
MW890.18 g/mol
LogP18.50
Rot. Bonds7

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine (PubChem CID 170302160) has the molecular formula C67H55NO and a molecular weight of 890.18 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine
PubChem CID170302160
Molecular FormulaC67H55NO
Molecular Weight890.18 g/mol
Exact Mass889.43
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C67H55NO/c1-65(2,3)48-41-45(42-49(43-48)66(4,5)6)50-32-19-23-44-24-20-33-52(62(44)50)51-29-14-17-36-57(51)68(59-38-22-40-61-64(59)54-31-15-18-39-60(54)69-61)58-37-21-35-56-63(58)53-30-13-16-34-55(53)67(56,46-25-9-7-10-26-46)47-27-11-8-12-28-47/h7-43H,1-6H3
InChIKeyILYCERZWHIBTQV-UHFFFAOYSA-N
XLogP18.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.18
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine
CID 170303969
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline
CID 170294072
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 170302086
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170304007
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496
2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
CID 170301995
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229419
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
CID 170296496

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine (CID 170302160) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine?
The InChIKey is ILYCERZWHIBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55NO/c1-65(2,3)48-41-45(42-49(43-48)66(4,5)6)50-32-19-23-44-24-20-33-52(62(44)50)51-29-14-17-36-57(51)68(59-38-22-40-61-64(59)54-31-15-18-39-60(54)69-61)58-37-21-35-56-63(58)53-30-13-16-34-55(53)67(56,46-25-9-7-10-26-46)47-27-11-8-12-28-47/h7-43H,1-6H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine has a molecular weight of 890.18 g/mol, XLogP of 18.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 170302160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).