N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine

C69H56N2O2 — CID 146434378

IUPACN-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2ccc(C3(C)CC(C)(C)c4ccc(N(c5ccc(-c6ccccc6C)c(C)c5)c5ccc6oc7ccccc7c6c5)cc43)cc2)c2ccc3oc4ccccc4c3c2)ccc1-c1ccccc1
InChIInChI=1S/C69H56N2O2/c1-44-16-10-11-19-56(44)57-34-29-51(39-46(57)3)71(53-32-37-67-61(41-53)59-21-13-15-23-65(59)73-67)54-30-35-62-63(42-54)69(6,43-68(62,4)5)48-24-26-49(27-25-48)70(50-28-33-55(45(2)38-50)47-17-8-7-9-18-47)52-31-36-66-60(40-52)58-20-12-14-22-64(58)72-66/h7-42H,43H2,1-6H3
InChIKeyCRGVFSLFFZFWHQ-UHFFFAOYSA-N
MW945.22 g/mol
LogP19.67
Rot. Bonds9

About N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine

N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 146434378) has the molecular formula C69H56N2O2 and a molecular weight of 945.22 g/mol. Its IUPAC name is N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
PubChem CID146434378
Molecular FormulaC69H56N2O2
Molecular Weight945.22 g/mol
Exact Mass944.43
IUPAC NameN-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2ccc(C3(C)CC(C)(C)c4ccc(N(c5ccc(-c6ccccc6C)c(C)c5)c5ccc6oc7ccccc7c6c5)cc43)cc2)c2ccc3oc4ccccc4c3c2)ccc1-c1ccccc1
InChIInChI=1S/C69H56N2O2/c1-44-16-10-11-19-56(44)57-34-29-51(39-46(57)3)71(53-32-37-67-61(41-53)59-21-13-15-23-65(59)73-67)54-30-35-62-63(42-54)69(6,43-68(62,4)5)48-24-26-49(27-25-48)70(50-28-33-55(45(2)38-50)47-17-8-7-9-18-47)52-31-36-66-60(40-52)58-20-12-14-22-64(58)72-66/h7-42H,43H2,1-6H3
InChIKeyCRGVFSLFFZFWHQ-UHFFFAOYSA-N
XLogP19.67
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.22
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine with MolForge

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Related Compounds

N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 159438248
N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 138488713
1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 142469435
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036901
4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
CID 118919480
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine
CID 175763314
9-dibenzofuran-2-yl-N-[4-[2-(2-methylphenyl)phenoxy]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122595299
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine (CID 146434378) is N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine is Cc1cc(N(c2ccc(C3(C)CC(C)(C)c4ccc(N(c5ccc(-c6ccccc6C)c(C)c5)c5ccc6oc7ccccc7c6c5)cc43)cc2)c2ccc3oc4ccccc4c3c2)ccc1-c1ccccc1.
What is the InChIKey of N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is CRGVFSLFFZFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2O2/c1-44-16-10-11-19-56(44)57-34-29-51(39-46(57)3)71(53-32-37-67-61(41-53)59-21-13-15-23-65(59)73-67)54-30-35-62-63(42-54)69(6,43-68(62,4)5)48-24-26-49(27-25-48)70(50-28-33-55(45(2)38-50)47-17-8-7-9-18-47)52-31-36-66-60(40-52)58-20-12-14-22-64(58)72-66/h7-42H,43H2,1-6H3.
What are the key properties of N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 945.22 g/mol, XLogP of 19.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[N-dibenzofuran-2-yl-3-methyl-4-(2-methylphenyl)anilino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 146434378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).