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

C59H42N2O — CID 177098554

IUPAC9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESCc1cccc2oc3cc(N(c4ccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)c4cc5ccccc5cc4-c4ccccc4)ccc3c12
InChIInChI=1S/C59H42N2O/c1-41-15-13-26-57-59(41)54-36-35-53(40-58(54)62-57)61(56-39-48-19-12-11-18-47(48)38-55(56)44-16-5-2-6-17-44)52-33-29-43(30-34-52)46-21-14-20-45(37-46)42-27-31-51(32-28-42)60(49-22-7-3-8-23-49)50-24-9-4-10-25-50/h2-40H,1H3
InChIKeyYATOTMQBIQESAK-UHFFFAOYSA-N
MW795.00 g/mol
LogP16.99
Rot. Bonds9

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

9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine (PubChem CID 177098554) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
PubChem CID177098554
Molecular FormulaC59H42N2O
Molecular Weight795.00 g/mol
Exact Mass794.33
IUPAC Name9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESCc1cccc2oc3cc(N(c4ccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)c4cc5ccccc5cc4-c4ccccc4)ccc3c12
InChIInChI=1S/C59H42N2O/c1-41-15-13-26-57-59(41)54-36-35-53(40-58(54)62-57)61(56-39-48-19-12-11-18-47(48)38-55(56)44-16-5-2-6-17-44)52-33-29-43(30-34-52)46-21-14-20-45(37-46)42-27-31-51(32-28-42)60(49-22-7-3-8-23-49)50-24-9-4-10-25-50/h2-40H,1H3
InChIKeyYATOTMQBIQESAK-UHFFFAOYSA-N
XLogP16.99
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177128279
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612
N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177128398
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176757417
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 170117885
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
The IUPAC name of 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine (CID 177098554) is 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine is Cc1cccc2oc3cc(N(c4ccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)c4cc5ccccc5cc4-c4ccccc4)ccc3c12.
What is the InChIKey of 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
The InChIKey is YATOTMQBIQESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-41-15-13-26-57-59(41)54-36-35-53(40-58(54)62-57)61(56-39-48-19-12-11-18-47(48)38-55(56)44-16-5-2-6-17-44)52-33-29-43(30-34-52)46-21-14-20-45(37-46)42-27-31-51(32-28-42)60(49-22-7-3-8-23-49)50-24-9-4-10-25-50/h2-40H,1H3.
What are the key properties of 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine has a molecular weight of 795.00 g/mol, XLogP of 16.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 177098554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).