N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine

C42H45N — CID 118360849

IUPACN-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine
SMILESCc1ccc(Nc2ccc3c(c2)C(C)(C)C(C)(C)c2cc4c(cc2-3)C(C)(C)C(C)(C)c2ccc3ccccc3c2-4)c(C)c1
InChIInChI=1S/C42H45N/c1-25-15-20-37(26(2)21-25)43-28-17-18-30-31-23-36-32(24-35(31)41(7,8)40(5,6)34(30)22-28)38-29-14-12-11-13-27(29)16-19-33(38)39(3,4)42(36,9)10/h11-24,43H,1-10H3
InChIKeyARMCFRBIQNHUIR-UHFFFAOYSA-N
MW563.83 g/mol
LogP11.67
Rot. Bonds2

About N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine

N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine (PubChem CID 118360849) has the molecular formula C42H45N and a molecular weight of 563.83 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine
PubChem CID118360849
Molecular FormulaC42H45N
Molecular Weight563.83 g/mol
Exact Mass563.36
IUPAC NameN-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine
SMILESCc1ccc(Nc2ccc3c(c2)C(C)(C)C(C)(C)c2cc4c(cc2-3)C(C)(C)C(C)(C)c2ccc3ccccc3c2-4)c(C)c1
InChIInChI=1S/C42H45N/c1-25-15-20-37(26(2)21-25)43-28-17-18-30-31-23-36-32(24-35(31)41(7,8)40(5,6)34(30)22-28)38-29-14-12-11-13-27(29)16-19-33(38)39(3,4)42(36,9)10/h11-24,43H,1-10H3
InChIKeyARMCFRBIQNHUIR-UHFFFAOYSA-N
XLogP11.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.83
LogP ≤ 511.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360823
1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 143607892
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
N-(12,12-dimethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 153293480
12,12-dimethyl-N-[4-(2-methylpropyl)phenyl]-22,22-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 123296449
7,7-dimethyl-N-(4-propan-2-ylphenyl)benzo[g]fluoren-9-amine
CID 142714289
1,4,5-trimethyl-2-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)pyridin-1-ium
CID 140940563
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277980
CID 168838213
CID 168838213
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine (CID 118360849) is N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine is Cc1ccc(Nc2ccc3c(c2)C(C)(C)C(C)(C)c2cc4c(cc2-3)C(C)(C)C(C)(C)c2ccc3ccccc3c2-4)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine?
The InChIKey is ARMCFRBIQNHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N/c1-25-15-20-37(26(2)21-25)43-28-17-18-30-31-23-36-32(24-35(31)41(7,8)40(5,6)34(30)22-28)38-29-14-12-11-13-27(29)16-19-33(38)39(3,4)42(36,9)10/h11-24,43H,1-10H3.
What are the key properties of N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine?
N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine has a molecular weight of 563.83 g/mol, XLogP of 11.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine is sourced from PubChem (CID 118360849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).