2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine

C72H60N4O — CID 23594488

IUPAC2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(C)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5oc6ccc(N(c7ccc(C)cc7)c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C72H60N4O/c1-49-7-25-58(26-8-49)73(6)59-35-17-54(18-36-59)55-21-39-65(40-22-55)75(62-31-13-52(4)14-32-62)67-43-45-71-69(47-67)70-48-68(44-46-72(70)77-71)76(63-33-15-53(5)16-34-63)66-41-23-57(24-42-66)56-19-37-64(38-20-56)74(60-27-9-50(2)10-28-60)61-29-11-51(3)12-30-61/h7-48H,1-6H3
InChIKeyPTSDVFKIYYEGNZ-UHFFFAOYSA-N
MW997.30 g/mol
LogP20.64
Rot. Bonds13

About 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine

2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine (PubChem CID 23594488) has the molecular formula C72H60N4O and a molecular weight of 997.30 g/mol. Its IUPAC name is 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
PubChem CID23594488
Molecular FormulaC72H60N4O
Molecular Weight997.30 g/mol
Exact Mass996.48
IUPAC Name2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(C)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5oc6ccc(N(c7ccc(C)cc7)c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C72H60N4O/c1-49-7-25-58(26-8-49)73(6)59-35-17-54(18-36-59)55-21-39-65(40-22-55)75(62-31-13-52(4)14-32-62)67-43-45-71-69(47-67)70-48-68(44-46-72(70)77-71)76(63-33-15-53(5)16-34-63)66-41-23-57(24-42-66)56-19-37-64(38-20-56)74(60-27-9-50(2)10-28-60)61-29-11-51(3)12-30-61/h7-48H,1-6H3
InChIKeyPTSDVFKIYYEGNZ-UHFFFAOYSA-N
XLogP20.64
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.30
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11573764
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
3-(dibenzo[b,d]furan-2-ylamino)-2-(4-methoxyphenyl)-1H-inden-1-one
CID 2268521
Acetamide, N-2-dibenzofuranyl-
CID 603364
US11053243, Example 26
CID 49779472
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-methylphenyl)-1-benzofuran-5-yl]morpholine
CID 24747907
N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)dodecanamide
CID 118730982
US11053243, Example 30
CID 66833201
N-[4-[5-(dimethylaminomethylamino)benzofuran-2-yl]phenyl]-N',N'-dimethyl-methanediamine
CID 3010567
N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide
CID 12813617
1-[8-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)dibenzofuran-2-yl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 13580721

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
The IUPAC name of 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine (CID 23594488) is 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine is Cc1ccc(N(C)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5oc6ccc(N(c7ccc(C)cc7)c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
The InChIKey is PTSDVFKIYYEGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H60N4O/c1-49-7-25-58(26-8-49)73(6)59-35-17-54(18-36-59)55-21-39-65(40-22-55)75(62-31-13-52(4)14-32-62)67-43-45-71-69(47-67)70-48-68(44-46-72(70)77-71)76(63-33-15-53(5)16-34-63)66-41-23-57(24-42-66)56-19-37-64(38-20-56)74(60-27-9-50(2)10-28-60)61-29-11-51(3)12-30-61/h7-48H,1-6H3.
What are the key properties of 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine has a molecular weight of 997.30 g/mol, XLogP of 20.64, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-8-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 23594488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).