N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine

C60H43NO — CID 177128398

IUPACN-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
SMILESCc1cc(C)c2c(c1)oc1cc(N(c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)ccc12
InChIInChI=1S/C60H43NO/c1-40-35-41(2)59-54-34-33-51(39-57(54)62-58(59)36-40)61(49-29-25-45(26-30-49)56-38-48-22-13-12-21-47(48)37-55(56)44-19-10-5-11-20-44)50-31-27-46(28-32-50)60-52(42-15-6-3-7-16-42)23-14-24-53(60)43-17-8-4-9-18-43/h3-39H,1-2H3
InChIKeyBIZBIJMPKQATBB-UHFFFAOYSA-N
MW794.01 g/mol
LogP17.16
Rot. Bonds8

About N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine

N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine (PubChem CID 177128398) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
PubChem CID177128398
Molecular FormulaC60H43NO
Molecular Weight794.01 g/mol
Exact Mass793.33
IUPAC NameN-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
SMILESCc1cc(C)c2c(c1)oc1cc(N(c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)ccc12
InChIInChI=1S/C60H43NO/c1-40-35-41(2)59-54-34-33-51(39-57(54)62-58(59)36-40)61(49-29-25-45(26-30-49)56-38-48-22-13-12-21-47(48)37-55(56)44-19-10-5-11-20-44)50-31-27-46(28-32-50)60-52(42-15-6-3-7-16-42)23-14-24-53(60)43-17-8-4-9-18-43/h3-39H,1-2H3
InChIKeyBIZBIJMPKQATBB-UHFFFAOYSA-N
XLogP17.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177098554
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
7-phenyl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352672
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177128279
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-[4-(3-methyldibenzofuran-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 176757216
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine (CID 177128398) is N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine is Cc1cc(C)c2c(c1)oc1cc(N(c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)ccc12.
What is the InChIKey of N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is BIZBIJMPKQATBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-40-35-41(2)59-54-34-33-51(39-57(54)62-58(59)36-40)61(49-29-25-45(26-30-49)56-38-48-22-13-12-21-47(48)37-55(56)44-19-10-5-11-20-44)50-31-27-46(28-32-50)60-52(42-15-6-3-7-16-42)23-14-24-53(60)43-17-8-4-9-18-43/h3-39H,1-2H3.
What are the key properties of N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 794.01 g/mol, XLogP of 17.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177128398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).