N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane

C68H72N2 — CID 158552847

IUPACN-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane
SMILESC.Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C2(C)CCC3(C)C2)cc1)c1ccccc1C.Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C2(C)CCC3(C)CC2)cc1)c1ccccc1C
InChIInChI=1S/C34H35N.C33H33N.CH4/c1-24-9-5-7-11-31(24)35(32-12-8-6-10-25(32)2)28-16-13-26(14-17-28)27-15-18-29-30(23-27)34(4)21-19-33(29,3)20-22-34;1-23-9-5-7-11-30(23)34(31-12-8-6-10-24(31)2)27-16-13-25(14-17-27)26-15-18-28-29(21-26)33(4)20-19-32(28,3)22-33;/h5-18,23H,19-22H2,1-4H3;5-18,21H,19-20,22H2,1-4H3;1H4
InChIKeyHPXWZLYALZSVEH-UHFFFAOYSA-N
MW917.34 g/mol
LogP19.33
Rot. Bonds8

About N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane

N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane (PubChem CID 158552847) has the molecular formula C68H72N2 and a molecular weight of 917.34 g/mol. Its IUPAC name is N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane.

Molecular Properties

Compound NameN-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane
PubChem CID158552847
Molecular FormulaC68H72N2
Molecular Weight917.34 g/mol
Exact Mass916.57
IUPAC NameN-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane
SMILESC.Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C2(C)CCC3(C)C2)cc1)c1ccccc1C.Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C2(C)CCC3(C)CC2)cc1)c1ccccc1C
InChIInChI=1S/C34H35N.C33H33N.CH4/c1-24-9-5-7-11-31(24)35(32-12-8-6-10-25(32)2)28-16-13-26(14-17-28)27-15-18-29-30(23-27)34(4)21-19-33(29,3)20-22-34;1-23-9-5-7-11-30(23)34(31-12-8-6-10-24(31)2)27-16-13-25(14-17-27)26-15-18-28-29(21-26)33(4)20-19-32(28,3)22-33;/h5-18,23H,19-22H2,1-4H3;5-18,21H,19-20,22H2,1-4H3;1H4
InChIKeyHPXWZLYALZSVEH-UHFFFAOYSA-N
XLogP19.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.34
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane with MolForge

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Related Compounds

2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
CID 142500531
2,5-bis(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylaniline
CID 142500621
4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-3-methyl-N,N-diphenylaniline
CID 154592716
N,4-diphenyl-N-[4-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline;2-methyl-N-[4-[6-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-(2-methylphenyl)aniline;2-methyl-N-[4-[6-[4-(N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline;bis(4-methyl-N-[4-[6-[4-(N-(4-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline)
CID 157494177
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121322879
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
N-[4-[3,5-bis[4-(N-(2-ethylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 20688280
3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 121322814
2-N,7-N-bis[2-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-9,10-dioctyl-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 154592837
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 158435448
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane?
The IUPAC name of N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane (CID 158552847) is N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane.
What is the SMILES notation for N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane?
The canonical SMILES for N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane is C.Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C2(C)CCC3(C)C2)cc1)c1ccccc1C.Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C2(C)CCC3(C)CC2)cc1)c1ccccc1C.
What is the InChIKey of N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane?
The InChIKey is HPXWZLYALZSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N.C33H33N.CH4/c1-24-9-5-7-11-31(24)35(32-12-8-6-10-25(32)2)28-16-13-26(14-17-28)27-15-18-29-30(23-27)34(4)21-19-33(29,3)20-22-34;1-23-9-5-7-11-30(23)34(31-12-8-6-10-24(31)2)27-16-13-25(14-17-27)26-15-18-28-29(21-26)33(4)20-19-32(28,3)22-33;/h5-18,23H,19-22H2,1-4H3;5-18,21H,19-20,22H2,1-4H3;1H4.
What are the key properties of N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane?
N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane has a molecular weight of 917.34 g/mol, XLogP of 19.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane is sourced from PubChem (CID 158552847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).