N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine

C52H38N2O — CID 130241224

IUPACN-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine
SMILESC1=Cc2cccc(-c3ccc(Nc4ccc(-c5ccc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cc3)c2CC1
InChIInChI=1S/C52H38N2O/c1-3-12-39(13-4-1)47-20-10-21-48-49-22-11-23-50(52(49)55-51(47)48)54(43-16-5-2-6-17-43)44-34-28-37(29-35-44)36-24-30-41(31-25-36)53-42-32-26-40(27-33-42)46-19-9-15-38-14-7-8-18-45(38)46/h1-7,9-17,19-35,53H,8,18H2
InChIKeyYGJWBWHYVYHUTM-UHFFFAOYSA-N
MW706.89 g/mol
LogP14.76
Rot. Bonds8

About N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine

N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine (PubChem CID 130241224) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine
PubChem CID130241224
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC NameN-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine
SMILESC1=Cc2cccc(-c3ccc(Nc4ccc(-c5ccc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cc3)c2CC1
InChIInChI=1S/C52H38N2O/c1-3-12-39(13-4-1)47-20-10-21-48-49-22-11-23-50(52(49)55-51(47)48)54(43-16-5-2-6-17-43)44-34-28-37(29-35-44)36-24-30-41(31-25-36)53-42-32-26-40(27-33-42)46-19-9-15-38-14-7-8-18-45(38)46/h1-7,9-17,19-35,53H,8,18H2
InChIKeyYGJWBWHYVYHUTM-UHFFFAOYSA-N
XLogP14.76
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 514.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
CID 168771919
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine
CID 167144656
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline
CID 170229367
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine (CID 130241224) is N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine is C1=Cc2cccc(-c3ccc(Nc4ccc(-c5ccc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cc3)c2CC1.
What is the InChIKey of N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine?
The InChIKey is YGJWBWHYVYHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-3-12-39(13-4-1)47-20-10-21-48-49-22-11-23-50(52(49)55-51(47)48)54(43-16-5-2-6-17-43)44-34-28-37(29-35-44)36-24-30-41(31-25-36)53-42-32-26-40(27-33-42)46-19-9-15-38-14-7-8-18-45(38)46/h1-7,9-17,19-35,53H,8,18H2.
What are the key properties of N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine?
N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine has a molecular weight of 706.89 g/mol, XLogP of 14.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 130241224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).