4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline

C46H40N2 — CID 89074322

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline
SMILESC=C1c2cccc3c2N2c4c1cc(-c1ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc1)cc4C(C)(C)c1cccc(c12)C3(C)C
InChIInChI=1S/C46H40N2/c1-28-14-20-33(21-15-28)47(34-22-16-29(2)17-23-34)35-24-18-31(19-25-35)32-26-37-30(3)36-10-8-11-38-42(36)48-43(37)41(27-32)46(6,7)40-13-9-12-39(44(40)48)45(38,4)5/h8-27H,3H2,1-2,4-7H3
InChIKeyMPGAFPVCHLXSRR-UHFFFAOYSA-N
MW620.84 g/mol
LogP12.56
Rot. Bonds4

About 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline (PubChem CID 89074322) has the molecular formula C46H40N2 and a molecular weight of 620.84 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline
PubChem CID89074322
Molecular FormulaC46H40N2
Molecular Weight620.84 g/mol
Exact Mass620.32
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline
SMILESC=C1c2cccc3c2N2c4c1cc(-c1ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc1)cc4C(C)(C)c1cccc(c12)C3(C)C
InChIInChI=1S/C46H40N2/c1-28-14-20-33(21-15-28)47(34-22-16-29(2)17-23-34)35-24-18-31(19-25-35)32-26-37-30(3)36-10-8-11-38-42(36)48-43(37)41(27-32)46(6,7)40-13-9-12-39(44(40)48)45(38,4)5/h8-27H,3H2,1-2,4-7H3
InChIKeyMPGAFPVCHLXSRR-UHFFFAOYSA-N
XLogP12.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline with MolForge

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Related Compounds

8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
CID 89065349
N,N-dinaphthalen-1-yl-6-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine
CID 89074309
5-N,11-N-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-5-N,11-N-bis(4-methylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 70885926
5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90295974
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954
8,8,14,14,22,22-hexamethyl-5-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 70885935
4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]aniline
CID 90201389
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline (CID 89074322) is 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline is C=C1c2cccc3c2N2c4c1cc(-c1ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc1)cc4C(C)(C)c1cccc(c12)C3(C)C.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline?
The InChIKey is MPGAFPVCHLXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2/c1-28-14-20-33(21-15-28)47(34-22-16-29(2)17-23-34)35-24-18-31(19-25-35)32-26-37-30(3)36-10-8-11-38-42(36)48-43(37)41(27-32)46(6,7)40-13-9-12-39(44(40)48)45(38,4)5/h8-27H,3H2,1-2,4-7H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline has a molecular weight of 620.84 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline is sourced from PubChem (CID 89074322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).