N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

C69H43NO — CID 174279720

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2ccc3oc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C69H43NO/c1-3-18-51-46(15-1)17-13-24-52(51)48-33-31-44(32-34-48)45-35-39-50(40-36-45)70(64-29-12-8-19-53(64)49-38-42-66-59(43-49)57-41-37-47-16-2-4-20-54(47)68(57)71-66)65-30-14-28-63-67(65)58-23-7-11-27-62(58)69(63)60-25-9-5-21-55(60)56-22-6-10-26-61(56)69/h1-43H
InChIKeyWNQHJLWMLOWBFV-UHFFFAOYSA-N
MW902.11 g/mol
LogP18.71
Rot. Bonds6

About N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 174279720) has the molecular formula C69H43NO and a molecular weight of 902.11 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID174279720
Molecular FormulaC69H43NO
Molecular Weight902.11 g/mol
Exact Mass901.33
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2ccc3oc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C69H43NO/c1-3-18-51-46(15-1)17-13-24-52(51)48-33-31-44(32-34-48)45-35-39-50(40-36-45)70(64-29-12-8-19-53(64)49-38-42-66-59(43-49)57-41-37-47-16-2-4-20-54(47)68(57)71-66)65-30-14-28-63-67(65)58-23-7-11-27-62(58)69(63)60-25-9-5-21-55(60)56-22-6-10-26-61(56)69/h1-43H
InChIKeyWNQHJLWMLOWBFV-UHFFFAOYSA-N
XLogP18.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.11
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168805033
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326417
5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 159658922
N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
CID 170666026
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 174279720) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2ccc3oc4c5ccccc5ccc4c3c2)c1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is WNQHJLWMLOWBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43NO/c1-3-18-51-46(15-1)17-13-24-52(51)48-33-31-44(32-34-48)45-35-39-50(40-36-45)70(64-29-12-8-19-53(64)49-38-42-66-59(43-49)57-41-37-47-16-2-4-20-54(47)68(57)71-66)65-30-14-28-63-67(65)58-23-7-11-27-62(58)69(63)60-25-9-5-21-55(60)56-22-6-10-26-61(56)69/h1-43H.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 902.11 g/mol, XLogP of 18.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 174279720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).