18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine

C42H37NOSi2 — CID 155761195

IUPAC18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)[Si](C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2[Si]4(C)C)cc1
InChIInChI=1S/C42H37NOSi2/c1-26-15-19-28(20-16-26)43(29-21-17-27(2)18-22-29)30-23-24-33-36(25-30)46(5,6)41-38(33)37-31-11-7-9-13-34(31)44-40(37)39-32-12-8-10-14-35(32)45(3,4)42(39)41/h7-25H,1-6H3
InChIKeyZIVBQOLSQHNOPE-UHFFFAOYSA-N
MW627.94 g/mol
LogP9.28
Rot. Bonds3

About 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine

18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine (PubChem CID 155761195) has the molecular formula C42H37NOSi2 and a molecular weight of 627.94 g/mol. Its IUPAC name is 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine.

Molecular Properties

Compound Name18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
PubChem CID155761195
Molecular FormulaC42H37NOSi2
Molecular Weight627.94 g/mol
Exact Mass627.24
IUPAC Name18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)[Si](C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2[Si]4(C)C)cc1
InChIInChI=1S/C42H37NOSi2/c1-26-15-19-28(20-16-26)43(29-21-17-27(2)18-22-29)30-23-24-33-36(25-30)46(5,6)41-38(33)37-31-11-7-9-13-34(31)44-40(37)39-32-12-8-10-14-35(32)45(3,4)42(39)41/h7-25H,1-6H3
InChIKeyZIVBQOLSQHNOPE-UHFFFAOYSA-N
XLogP9.28
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.94
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-N,24-N-di(dibenzofuran-4-yl)-18,18,21,21-tetramethyl-15-N,24-N-diphenyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine;N,N-diphenyl-4-[18,18,21,21-tetramethyl-15-[4-(N-phenylanilino)phenyl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]aniline;18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine;18,18,21,21-tetramethyl-15-N,24-N-diphenyl-15-N,24-N-bis(6-propan-2-yldibenzofuran-4-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine;18,18,21,21-tetramethyl-15-N,15-N,24-N,24-N-tetraphenyl-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
CID 160939385
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440163
6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine
CID 153440180
9,9-bis(3-methylphenyl)-6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis[4-(2-methylphenyl)phenyl]-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene-6,12-diamine
CID 156630650
3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440171
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-14,14-dimethyl-N-(3-naphthalen-2-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937716
3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440185
9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 168768956
N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-N,11-bis(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 138569745
N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937720
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 153440138

Frequently Asked Questions

What is the IUPAC name of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?
The IUPAC name of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine (CID 155761195) is 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine.
What is the SMILES notation for 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?
The canonical SMILES for 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)[Si](C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2[Si]4(C)C)cc1.
What is the InChIKey of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?
The InChIKey is ZIVBQOLSQHNOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37NOSi2/c1-26-15-19-28(20-16-26)43(29-21-17-27(2)18-22-29)30-23-24-33-36(25-30)46(5,6)41-38(33)37-31-11-7-9-13-34(31)44-40(37)39-32-12-8-10-14-35(32)45(3,4)42(39)41/h7-25H,1-6H3.
What are the key properties of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?
18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine has a molecular weight of 627.94 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine is sourced from PubChem (CID 155761195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).