8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine

C78H62N4O2 — CID 23594512

IUPAC8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4cccc(C)c4)c4ccc5oc6ccc(N(c7cccc(C)c7)c7ccc8oc9ccc(N(c%10cccc(C)c%10)c%10cccc(C)c%10)cc9c8c7)cc6c5c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C78H62N4O2/c1-51-22-28-59(29-23-51)79(62-17-7-12-52(2)42-62)60-30-24-57(25-31-60)58-26-32-61(33-27-58)80(63-18-8-13-53(3)43-63)67-34-38-75-71(47-67)73-49-69(36-40-77(73)83-75)82(66-21-11-16-56(6)46-66)70-37-41-78-74(50-70)72-48-68(35-39-76(72)84-78)81(64-19-9-14-54(4)44-64)65-20-10-15-55(5)45-65/h7-50H,1-6H3
InChIKeyXSNVHIFQEOMVBB-UHFFFAOYSA-N
MW1087.38 g/mol
LogP22.88
Rot. Bonds13

About 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine

8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine (PubChem CID 23594512) has the molecular formula C78H62N4O2 and a molecular weight of 1087.38 g/mol. Its IUPAC name is 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine
PubChem CID23594512
Molecular FormulaC78H62N4O2
Molecular Weight1087.38 g/mol
Exact Mass1086.49
IUPAC Name8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4cccc(C)c4)c4ccc5oc6ccc(N(c7cccc(C)c7)c7ccc8oc9ccc(N(c%10cccc(C)c%10)c%10cccc(C)c%10)cc9c8c7)cc6c5c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C78H62N4O2/c1-51-22-28-59(29-23-51)79(62-17-7-12-52(2)42-62)60-30-24-57(25-31-60)58-26-32-61(33-27-58)80(63-18-8-13-53(3)43-63)67-34-38-75-71(47-67)73-49-69(36-40-77(73)83-75)82(66-21-11-16-56(6)46-66)70-37-41-78-74(50-70)72-48-68(35-39-76(72)84-78)81(64-19-9-14-54(4)44-64)65-20-10-15-55(5)45-65/h7-50H,1-6H3
InChIKeyXSNVHIFQEOMVBB-UHFFFAOYSA-N
XLogP22.88
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.38
LogP ≤ 522.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine with MolForge

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Related Compounds

8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
N-[4-[4-[N-(3,4-dimethylphenyl)-4-[4-[N-(3,4-dimethylphenyl)-4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzofuran-2-amine
CID 23594453
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;ethane;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzofuran-2,8-diamine;2-N-methyl-2-N,8-N-bis(4-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 158388739
3-N-(4-dibenzofuran-2-ylphenyl)-1-N,5-N-bis(3-methylphenyl)-3-N-naphthalen-1-yl-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 139393622

Frequently Asked Questions

What is the IUPAC name of 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine?
The IUPAC name of 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine (CID 23594512) is 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine is Cc1ccc(N(c2ccc(-c3ccc(N(c4cccc(C)c4)c4ccc5oc6ccc(N(c7cccc(C)c7)c7ccc8oc9ccc(N(c%10cccc(C)c%10)c%10cccc(C)c%10)cc9c8c7)cc6c5c4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine?
The InChIKey is XSNVHIFQEOMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N4O2/c1-51-22-28-59(29-23-51)79(62-17-7-12-52(2)42-62)60-30-24-57(25-31-60)58-26-32-61(33-27-58)80(63-18-8-13-53(3)43-63)67-34-38-75-71(47-67)73-49-69(36-40-77(73)83-75)82(66-21-11-16-56(6)46-66)70-37-41-78-74(50-70)72-48-68(35-39-76(72)84-78)81(64-19-9-14-54(4)44-64)65-20-10-15-55(5)45-65/h7-50H,1-6H3.
What are the key properties of 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine?
8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine has a molecular weight of 1087.38 g/mol, XLogP of 22.88, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 23594512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).