N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine

C53H37NO — CID 177128279

IUPACN-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
SMILESCc1cccc2oc3cc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc3c12
InChIInChI=1S/C53H37NO/c1-36-14-13-23-50-52(36)47-32-30-44(35-51(47)55-50)54(49-33-27-42(37-15-5-2-6-16-37)34-48(49)38-17-7-3-8-18-38)43-28-24-40(25-29-43)46-31-26-39-19-11-12-22-45(39)53(46)41-20-9-4-10-21-41/h2-35H,1H3
InChIKeyXOGSGEHBJRWZKG-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.19
Rot. Bonds7

About N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine

N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine (PubChem CID 177128279) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
PubChem CID177128279
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
SMILESCc1cccc2oc3cc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc3c12
InChIInChI=1S/C53H37NO/c1-36-14-13-23-50-52(36)47-32-30-44(35-51(47)55-50)54(49-33-27-42(37-15-5-2-6-16-37)34-48(49)38-17-7-3-8-18-38)43-28-24-40(25-29-43)46-31-26-39-19-11-12-22-45(39)53(46)41-20-9-4-10-21-41/h2-35H,1H3
InChIKeyXOGSGEHBJRWZKG-UHFFFAOYSA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177128275
9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177098554
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526923
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 167265283
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 170126932

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine (CID 177128279) is N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine is Cc1cccc2oc3cc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc3c12.
What is the InChIKey of N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is XOGSGEHBJRWZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-36-14-13-23-50-52(36)47-32-30-44(35-51(47)55-50)54(49-33-27-42(37-15-5-2-6-16-37)34-48(49)38-17-7-3-8-18-38)43-28-24-40(25-29-43)46-31-26-39-19-11-12-22-45(39)53(46)41-20-9-4-10-21-41/h2-35H,1H3.
What are the key properties of N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 703.89 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177128279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).