N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine

C62H40FNO — CID 177097066

IUPACN-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H40FNO/c63-45-30-26-41(27-31-45)42-28-32-46(33-29-42)64(47-34-35-56-55-22-11-12-25-60(55)65-61(56)40-47)59-24-13-23-57(54-38-36-48(43-14-3-1-4-15-43)50-18-7-9-20-52(50)54)62(59)58-39-37-49(44-16-5-2-6-17-44)51-19-8-10-21-53(51)58/h1-40H
InChIKeyMVIDSLNMJNRXFO-UHFFFAOYSA-N
MW834.01 g/mol
LogP17.84
Rot. Bonds8

About N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine

N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine (PubChem CID 177097066) has the molecular formula C62H40FNO and a molecular weight of 834.01 g/mol. Its IUPAC name is N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine
PubChem CID177097066
Molecular FormulaC62H40FNO
Molecular Weight834.01 g/mol
Exact Mass833.31
IUPAC NameN-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H40FNO/c63-45-30-26-41(27-31-45)42-28-32-46(33-29-42)64(47-34-35-56-55-22-11-12-25-60(55)65-61(56)40-47)59-24-13-23-57(54-38-36-48(43-14-3-1-4-15-43)50-18-7-9-20-52(50)54)62(59)58-39-37-49(44-16-5-2-6-17-44)51-19-8-10-21-53(51)58/h1-40H
InChIKeyMVIDSLNMJNRXFO-UHFFFAOYSA-N
XLogP17.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.01
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine (CID 177097066) is N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is MVIDSLNMJNRXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40FNO/c63-45-30-26-41(27-31-45)42-28-32-46(33-29-42)64(47-34-35-56-55-22-11-12-25-60(55)65-61(56)40-47)59-24-13-23-57(54-38-36-48(43-14-3-1-4-15-43)50-18-7-9-20-52(50)54)62(59)58-39-37-49(44-16-5-2-6-17-44)51-19-8-10-21-53(51)58/h1-40H.
What are the key properties of N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine?
N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 834.01 g/mol, XLogP of 17.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177097066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).