2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine

C68H52N4O — CID 23594496

IUPAC2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(C)c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C68H52N4O/c1-49-23-33-59(34-24-49)70(56-17-9-4-10-18-56)60-37-27-52(28-38-60)53-31-41-62(42-32-53)72(58-21-13-6-14-22-58)64-44-46-68-66(48-64)65-47-63(43-45-67(65)73-68)71(57-19-11-5-12-20-57)61-39-29-51(30-40-61)50-25-35-55(36-26-50)69(2)54-15-7-3-8-16-54/h3-48H,1-2H3
InChIKeyJSCCSUJAXHRAAU-UHFFFAOYSA-N
MW941.19 g/mol
LogP19.41
Rot. Bonds13

About 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine

2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine (PubChem CID 23594496) has the molecular formula C68H52N4O and a molecular weight of 941.19 g/mol. Its IUPAC name is 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
PubChem CID23594496
Molecular FormulaC68H52N4O
Molecular Weight941.19 g/mol
Exact Mass940.41
IUPAC Name2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(C)c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C68H52N4O/c1-49-23-33-59(34-24-49)70(56-17-9-4-10-18-56)60-37-27-52(28-38-60)53-31-41-62(42-32-53)72(58-21-13-6-14-22-58)64-44-46-68-66(48-64)65-47-63(43-45-67(65)73-68)71(57-19-11-5-12-20-57)61-39-29-51(30-40-61)50-25-35-55(36-26-50)69(2)54-15-7-3-8-16-54/h3-48H,1-2H3
InChIKeyJSCCSUJAXHRAAU-UHFFFAOYSA-N
XLogP19.41
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine with MolForge

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Related Compounds

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4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
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3-(dibenzo[b,d]furan-2-ylamino)-2-(4-methoxyphenyl)-1H-inden-1-one
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N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)dodecanamide
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N-[4-[5-(dimethylaminomethylamino)benzofuran-2-yl]phenyl]-N',N'-dimethyl-methanediamine
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CID 13580721

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The IUPAC name of 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine (CID 23594496) is 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The canonical SMILES for 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(C)c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The InChIKey is JSCCSUJAXHRAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N4O/c1-49-23-33-59(34-24-49)70(56-17-9-4-10-18-56)60-37-27-52(28-38-60)53-31-41-62(42-32-53)72(58-21-13-6-14-22-58)64-44-46-68-66(48-64)65-47-63(43-45-67(65)73-68)71(57-19-11-5-12-20-57)61-39-29-51(30-40-61)50-25-35-55(36-26-50)69(2)54-15-7-3-8-16-54/h3-48H,1-2H3.
What are the key properties of 2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
2-N-[4-[4-(N-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine has a molecular weight of 941.19 g/mol, XLogP of 19.41, 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-methylanilino)phenyl]phenyl]-8-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 23594496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).