N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine

C59H47NO — CID 168802493

IUPACN-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C59H47NO/c1-58(2,3)43-29-33-53(49(36-43)39-15-7-6-8-16-39)60(44-30-34-56-50(37-44)48-20-12-14-22-55(48)61-56)54-32-28-40-17-9-10-18-45(40)57(54)41-25-23-38(24-26-41)42-27-31-47-46-19-11-13-21-51(46)59(4,5)52(47)35-42/h6-37H,1-5H3
InChIKeyRMVJNJHZUCJWGD-UHFFFAOYSA-N
MW786.03 g/mol
LogP16.81
Rot. Bonds6

About N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine

N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine (PubChem CID 168802493) has the molecular formula C59H47NO and a molecular weight of 786.03 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
PubChem CID168802493
Molecular FormulaC59H47NO
Molecular Weight786.03 g/mol
Exact Mass785.37
IUPAC NameN-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C59H47NO/c1-58(2,3)43-29-33-53(49(36-43)39-15-7-6-8-16-39)60(44-30-34-56-50(37-44)48-20-12-14-22-55(48)61-56)54-32-28-40-17-9-10-18-45(40)57(54)41-25-23-38(24-26-41)42-27-31-47-46-19-11-13-21-51(46)59(4,5)52(47)35-42/h6-37H,1-5H3
InChIKeyRMVJNJHZUCJWGD-UHFFFAOYSA-N
XLogP16.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.03
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
CID 168802239
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168801967
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152
N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324589
N-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964245
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine?
The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine (CID 168802493) is N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine is CC(C)(C)c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c(-c2ccccc2)c1.
What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine?
The InChIKey is RMVJNJHZUCJWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47NO/c1-58(2,3)43-29-33-53(49(36-43)39-15-7-6-8-16-39)60(44-30-34-56-50(37-44)48-20-12-14-22-55(48)61-56)54-32-28-40-17-9-10-18-45(40)57(54)41-25-23-38(24-26-41)42-27-31-47-46-19-11-13-21-51(46)59(4,5)52(47)35-42/h6-37H,1-5H3.
What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine?
N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine has a molecular weight of 786.03 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine is sourced from PubChem (CID 168802493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).