N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine

C44H32N2SSi — CID 161201446

IUPACN-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C44H32N2SSi/c1-48(2)40-27-26-35-33-19-10-12-23-39(33)47-44(35)42(40)36-25-24-31(28-41(36)48)45(29-14-5-3-6-15-29)38-22-13-20-34-32-18-9-11-21-37(32)46(43(34)38)30-16-7-4-8-17-30/h3-28H,1-2H3
InChIKeyCUHVQNHIHJZXJX-UHFFFAOYSA-N
MW648.91 g/mol
LogP11.42
Rot. Bonds4

About N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine

N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine (PubChem CID 161201446) has the molecular formula C44H32N2SSi and a molecular weight of 648.91 g/mol. Its IUPAC name is N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine
PubChem CID161201446
Molecular FormulaC44H32N2SSi
Molecular Weight648.91 g/mol
Exact Mass648.21
IUPAC NameN-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C44H32N2SSi/c1-48(2)40-27-26-35-33-19-10-12-23-39(33)47-44(35)42(40)36-25-24-31(28-41(36)48)45(29-14-5-3-6-15-29)38-22-13-20-34-32-18-9-11-21-37(32)46(43(34)38)30-16-7-4-8-17-30/h3-28H,1-2H3
InChIKeyCUHVQNHIHJZXJX-UHFFFAOYSA-N
XLogP11.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.91
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-phenylphenyl)-20-thia-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 161327536
N-(14,14-dimethyl-9-thia-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-yl)-N,9-diphenylcarbazol-2-amine
CID 164937715
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N,9-diphenyl-N-(9-thiahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)carbazol-1-amine
CID 164721719
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170665643
N-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-20-thia-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 168768948
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine?
The IUPAC name of N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine (CID 161201446) is N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine?
The canonical SMILES for N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine is C[Si]1(C)c2cc(N(c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine?
The InChIKey is CUHVQNHIHJZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2SSi/c1-48(2)40-27-26-35-33-19-10-12-23-39(33)47-44(35)42(40)36-25-24-31(28-41(36)48)45(29-14-5-3-6-15-29)38-22-13-20-34-32-18-9-11-21-37(32)46(43(34)38)30-16-7-4-8-17-30/h3-28H,1-2H3.
What are the key properties of N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine?
N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine has a molecular weight of 648.91 g/mol, XLogP of 11.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-20-thia-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-yl)-N,9-diphenylcarbazol-1-amine is sourced from PubChem (CID 161201446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).