N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine

C51H35NO — CID 170289379

IUPACN-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine
SMILESCc1cccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c(-c6ccccc6)cccc45)cc3)cccc12
InChIInChI=1S/C51H35NO/c1-34-11-7-21-47-42(34)17-9-19-45(47)38-25-29-40(30-26-38)52(39-27-23-37(24-28-39)44-18-8-15-35-14-5-6-16-43(35)44)41-31-32-48-49-22-10-20-46(36-12-3-2-4-13-36)51(49)53-50(48)33-41/h2-33H,1H3
InChIKeyJDMMNPONDUWCLL-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.67
Rot. Bonds6

About N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine

N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine (PubChem CID 170289379) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine
PubChem CID170289379
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC NameN-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine
SMILESCc1cccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c(-c6ccccc6)cccc45)cc3)cccc12
InChIInChI=1S/C51H35NO/c1-34-11-7-21-47-42(34)17-9-19-45(47)38-25-29-40(30-26-38)52(39-27-23-37(24-28-39)44-18-8-15-35-14-5-6-16-43(35)44)41-31-32-48-49-22-10-20-46(36-12-3-2-4-13-36)51(49)53-50(48)33-41/h2-33H,1H3
InChIKeyJDMMNPONDUWCLL-UHFFFAOYSA-N
XLogP14.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 162132679
6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 177286252
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
CID 155119877
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 148657680

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine (CID 170289379) is N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine is Cc1cccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c(-c6ccccc6)cccc45)cc3)cccc12.
What is the InChIKey of N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine?
The InChIKey is JDMMNPONDUWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-34-11-7-21-47-42(34)17-9-19-45(47)38-25-29-40(30-26-38)52(39-27-23-37(24-28-39)44-18-8-15-35-14-5-6-16-43(35)44)41-31-32-48-49-22-10-20-46(36-12-3-2-4-13-36)51(49)53-50(48)33-41/h2-33H,1H3.
What are the key properties of N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine?
N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine has a molecular weight of 677.85 g/mol, XLogP of 14.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine is sourced from PubChem (CID 170289379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).