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

C44H32N2SSi — CID 164937715

IUPACN-(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
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1sc3ccccc3c21
InChIInChI=1S/C44H32N2SSi/c1-48(2)41-26-25-40-43(35-18-10-12-20-39(35)47-40)44(41)36-24-22-32(28-42(36)48)45(29-13-5-3-6-14-29)31-21-23-34-33-17-9-11-19-37(33)46(38(34)27-31)30-15-7-4-8-16-30/h3-28H,1-2H3
InChIKeyQGLDXCBOODAZII-UHFFFAOYSA-N
MW648.91 g/mol
LogP11.42
Rot. Bonds4

About 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

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 (PubChem CID 164937715) has the molecular formula C44H32N2SSi and a molecular weight of 648.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID164937715
Molecular FormulaC44H32N2SSi
Molecular Weight648.91 g/mol
Exact Mass648.21
IUPAC NameN-(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
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1sc3ccccc3c21
InChIInChI=1S/C44H32N2SSi/c1-48(2)41-26-25-40-43(35-18-10-12-20-39(35)47-40)44(41)36-24-22-32(28-42(36)48)45(29-13-5-3-6-14-29)31-21-23-34-33-17-9-11-19-37(33)46(38(34)27-31)30-15-7-4-8-16-30/h3-28H,1-2H3
InChIKeyQGLDXCBOODAZII-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-(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 with MolForge

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Related Compounds

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
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-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-amine
CID 164937706
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-dibenzothiophen-2-yl-14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-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-amine
CID 164937760
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 129194626
N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042369
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
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
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168807456
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-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 164937727

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1sc3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is QGLDXCBOODAZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2SSi/c1-48(2)41-26-25-40-43(35-18-10-12-20-39(35)47-40)44(41)36-24-22-32(28-42(36)48)45(29-13-5-3-6-14-29)31-21-23-34-33-17-9-11-19-37(33)46(38(34)27-31)30-15-7-4-8-16-30/h3-28H,1-2H3.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 164937715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).