20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine

C43H33NSi — CID 90207512

IUPAC20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine
SMILESCc1ccc(-c2cc3cccc4c5c(c6cccc2c6c34)[Si](C)(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-5)cc1
InChIInChI=1S/C43H33NSi/c1-28-20-22-29(23-21-28)38-26-30-12-10-18-36-40(30)41-34(38)17-11-19-37(41)43-42(36)35-25-24-33(27-39(35)45(43,2)3)44(31-13-6-4-7-14-31)32-15-8-5-9-16-32/h4-27H,1-3H3
InChIKeyFHKQNUUVEYPSIF-UHFFFAOYSA-N
MW591.83 g/mol
LogP10.83
Rot. Bonds4

About 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine

20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine (PubChem CID 90207512) has the molecular formula C43H33NSi and a molecular weight of 591.83 g/mol. Its IUPAC name is 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine.

Molecular Properties

Compound Name20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine
PubChem CID90207512
Molecular FormulaC43H33NSi
Molecular Weight591.83 g/mol
Exact Mass591.24
IUPAC Name20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine
SMILESCc1ccc(-c2cc3cccc4c5c(c6cccc2c6c34)[Si](C)(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-5)cc1
InChIInChI=1S/C43H33NSi/c1-28-20-22-29(23-21-28)38-26-30-12-10-18-36-40(30)41-34(38)17-11-19-37(41)43-42(36)35-25-24-33(27-39(35)45(43,2)3)44(31-13-6-4-7-14-31)32-15-8-5-9-16-32/h4-27H,1-3H3
InChIKeyFHKQNUUVEYPSIF-UHFFFAOYSA-N
XLogP10.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.83
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine with MolForge

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Related Compounds

20,20-dimethyl-N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757012
3,3-dimethyl-N-naphthalen-1-yl-N-phenyl-3-silahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),4(9),5,7,11,13,15,17,19,21-undecaen-6-amine
CID 123629779
9,9,21,21-tetramethyl-6-N,6-N,18-N,18-N-tetraphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 59182181
6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182439
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
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
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 59181985
N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
CID 59282472
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 164937634
20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757329
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?
The IUPAC name of 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine (CID 90207512) is 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine.
What is the SMILES notation for 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?
The canonical SMILES for 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine is Cc1ccc(-c2cc3cccc4c5c(c6cccc2c6c34)[Si](C)(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-5)cc1.
What is the InChIKey of 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?
The InChIKey is FHKQNUUVEYPSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NSi/c1-28-20-22-29(23-21-28)38-26-30-12-10-18-36-40(30)41-34(38)17-11-19-37(41)43-42(36)35-25-24-33(27-39(35)45(43,2)3)44(31-13-6-4-7-14-31)32-15-8-5-9-16-32/h4-27H,1-3H3.
What are the key properties of 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?
20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine has a molecular weight of 591.83 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine is sourced from PubChem (CID 90207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).