N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine

C57H43NO — CID 177122140

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C57H43NO/c1-56(2,3)41-33-28-38(29-34-41)39-30-35-44(36-31-39)58(52-27-14-23-46-47-37-32-40-16-10-11-21-45(40)54(47)59-55(46)52)51-26-15-25-50-53(51)48-22-12-13-24-49(48)57(50,42-17-6-4-7-18-42)43-19-8-5-9-20-43/h4-37H,1-3H3
InChIKeyAXBWLXJMUORAQN-UHFFFAOYSA-N
MW757.98 g/mol
LogP15.54
Rot. Bonds6

About N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177122140) has the molecular formula C57H43NO and a molecular weight of 757.98 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177122140
Molecular FormulaC57H43NO
Molecular Weight757.98 g/mol
Exact Mass757.33
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C57H43NO/c1-56(2,3)41-33-28-38(29-34-41)39-30-35-44(36-31-39)58(52-27-14-23-46-47-37-32-40-16-10-11-21-45(40)54(47)59-55(46)52)51-26-15-25-50-53(51)48-22-12-13-24-49(48)57(50,42-17-6-4-7-18-42)43-19-8-5-9-20-43/h4-37H,1-3H3
InChIKeyAXBWLXJMUORAQN-UHFFFAOYSA-N
XLogP15.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.98
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121797
N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 168802242
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
CID 168801881
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 158201321
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177122214
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167330275
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine (CID 177122140) is N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine is CC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is AXBWLXJMUORAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NO/c1-56(2,3)41-33-28-38(29-34-41)39-30-35-44(36-31-39)58(52-27-14-23-46-47-37-32-40-16-10-11-21-45(40)54(47)59-55(46)52)51-26-15-25-50-53(51)48-22-12-13-24-49(48)57(50,42-17-6-4-7-18-42)43-19-8-5-9-20-43/h4-37H,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine?
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 757.98 g/mol, XLogP of 15.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177122140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).