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

C40H29NSi — CID 123629779

IUPAC3,3-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
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c4c(cccc4c21)-c1ccccc1-3
InChIInChI=1S/C40H29NSi/c1-42(2)38-24-28(41(27-14-4-3-5-15-27)37-21-10-13-26-12-6-7-16-29(26)37)22-23-32(38)36-25-35-31-18-9-8-17-30(31)33-19-11-20-34(39(33)35)40(36)42/h3-25H,1-2H3
InChIKeyRHRAMTYHUXNLNG-UHFFFAOYSA-N
MW551.77 g/mol
LogP9.91
Rot. Bonds3

About 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

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 (PubChem CID 123629779) has the molecular formula C40H29NSi and a molecular weight of 551.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3-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
PubChem CID123629779
Molecular FormulaC40H29NSi
Molecular Weight551.77 g/mol
Exact Mass551.21
IUPAC Name3,3-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
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c4c(cccc4c21)-c1ccccc1-3
InChIInChI=1S/C40H29NSi/c1-42(2)38-24-28(41(27-14-4-3-5-15-27)37-21-10-13-26-12-6-7-16-29(26)37)22-23-32(38)36-25-35-31-18-9-8-17-30(31)33-19-11-20-34(39(33)35)40(36)42/h3-25H,1-2H3
InChIKeyRHRAMTYHUXNLNG-UHFFFAOYSA-N
XLogP9.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.77
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757027
N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 140757152
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142
20,20-dimethyl-N-phenyl-N-(2-phenylphenyl)-4-[4-(N-(2-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 140757241
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504602
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c4c(cccc4c21)-c1ccccc1-3.
What is the InChIKey of 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?
The InChIKey is RHRAMTYHUXNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NSi/c1-42(2)38-24-28(41(27-14-4-3-5-15-27)37-21-10-13-26-12-6-7-16-29(26)37)22-23-32(38)36-25-35-31-18-9-8-17-30(31)33-19-11-20-34(39(33)35)40(36)42/h3-25H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 551.77 g/mol, XLogP of 9.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123629779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).