4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline

C62H43NO2 — CID 138481542

IUPAC4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCc1ccccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4-c4ccccc4)ccc4oc5ccccc5c34)cc2)ccc1C
InChIInChI=1S/C62H43NO2/c1-40-15-9-10-20-49(40)54-39-48(30-25-41(54)2)63(46-31-26-43(27-32-46)42-16-5-3-6-17-42)47-33-28-45(29-34-47)60-51(36-38-58-62(60)53-22-12-14-24-56(53)65-58)50-35-37-57-61(52-21-11-13-23-55(52)64-57)59(50)44-18-7-4-8-19-44/h3-39H,1-2H3
InChIKeyZTLRRADLQGBDAN-UHFFFAOYSA-N
MW834.03 g/mol
LogP17.91
Rot. Bonds8

About 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline

4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 138481542) has the molecular formula C62H43NO2 and a molecular weight of 834.03 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID138481542
Molecular FormulaC62H43NO2
Molecular Weight834.03 g/mol
Exact Mass833.33
IUPAC Name4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCc1ccccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4-c4ccccc4)ccc4oc5ccccc5c34)cc2)ccc1C
InChIInChI=1S/C62H43NO2/c1-40-15-9-10-20-49(40)54-39-48(30-25-41(54)2)63(46-31-26-43(27-32-46)42-16-5-3-6-17-42)47-33-28-45(29-34-47)60-51(36-38-58-62(60)53-22-12-14-24-56(53)65-58)50-35-37-57-61(52-21-11-13-23-55(52)64-57)59(50)44-18-7-4-8-19-44/h3-39H,1-2H3
InChIKeyZTLRRADLQGBDAN-UHFFFAOYSA-N
XLogP17.91
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.03
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481521
N-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 130250362
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
CID 138481415
N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
CID 145067582
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
N-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
CID 146383205
N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 138488713
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164831812
N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164744427

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 138481542) is 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline is Cc1ccccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4-c4ccccc4)ccc4oc5ccccc5c34)cc2)ccc1C.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ZTLRRADLQGBDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO2/c1-40-15-9-10-20-49(40)54-39-48(30-25-41(54)2)63(46-31-26-43(27-32-46)42-16-5-3-6-17-42)47-33-28-45(29-34-47)60-51(36-38-58-62(60)53-22-12-14-24-56(53)65-58)50-35-37-57-61(52-21-11-13-23-55(52)64-57)59(50)44-18-7-4-8-19-44/h3-39H,1-2H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 834.03 g/mol, XLogP of 17.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 138481542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).