N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C53H35NO — CID 169022316

IUPACN-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4oc5c(C6(c7ccccc7)c7ccccc7-c7ccccc76)cccc5c34)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-16-36(17-4-1)37-32-34-40(35-33-37)54(48-29-13-19-38-18-7-8-22-41(38)48)49-30-15-31-50-51(49)44-25-14-28-47(52(44)55-50)53(39-20-5-2-6-21-39)45-26-11-9-23-42(45)43-24-10-12-27-46(43)53/h1-35H
InChIKeyVFRPTHQGVOOGAO-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 169022316) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID169022316
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4oc5c(C6(c7ccccc7)c7ccccc7-c7ccccc76)cccc5c34)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-16-36(17-4-1)37-32-34-40(35-33-37)54(48-29-13-19-38-18-7-8-22-41(38)48)49-30-15-31-50-51(49)44-25-14-28-47(52(44)55-50)53(39-20-5-2-6-21-39)45-26-11-9-23-42(45)43-24-10-12-27-46(43)53/h1-35H
InChIKeyVFRPTHQGVOOGAO-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163667046
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544730
N-dibenzofuran-1-yl-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;N,N-diphenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;methane;N-naphthalen-1-yl-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;N-phenyl-6-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 159290929
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine
CID 129230904
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
9-dibenzofuran-4-yl-N,N-dinaphthalen-1-yl-9-phenylfluoren-2-amine;9-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-dibenzofuran-4-yl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157057124
N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397130
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320689

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 169022316) is N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4oc5c(C6(c7ccccc7)c7ccccc7-c7ccccc76)cccc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is VFRPTHQGVOOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-16-36(17-4-1)37-32-34-40(35-33-37)54(48-29-13-19-38-18-7-8-22-41(38)48)49-30-15-31-50-51(49)44-25-14-28-47(52(44)55-50)53(39-20-5-2-6-21-39)45-26-11-9-23-42(45)43-24-10-12-27-46(43)53/h1-35H.
What are the key properties of N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 701.87 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169022316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).