9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole

C57H37N5Si — CID 177069984

IUPAC9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C57H37N5Si/c1-3-19-39(20-4-1)63(40-21-5-2-6-22-40)53-34-18-13-29-47(53)41-23-7-8-24-42(41)48-37-38(35-36-54(48)63)55-58-56(61-49-30-14-9-25-43(49)44-26-10-15-31-50(44)61)60-57(59-55)62-51-32-16-11-27-45(51)46-28-12-17-33-52(46)62/h1-37H
InChIKeyGQQIJWPUNCJEJM-UHFFFAOYSA-N
MW820.04 g/mol
LogP10.76
Rot. Bonds5

About 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177069984) has the molecular formula C57H37N5Si and a molecular weight of 820.04 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID177069984
Molecular FormulaC57H37N5Si
Molecular Weight820.04 g/mol
Exact Mass819.28
IUPAC Name9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C57H37N5Si/c1-3-19-39(20-4-1)63(40-21-5-2-6-22-40)53-34-18-13-29-47(53)41-23-7-8-24-42(41)48-37-38(35-36-54(48)63)55-58-56(61-49-30-14-9-25-43(49)44-26-10-15-31-50(44)61)60-57(59-55)62-51-32-16-11-27-45(51)46-28-12-17-33-52(46)62/h1-37H
InChIKeyGQQIJWPUNCJEJM-UHFFFAOYSA-N
XLogP10.76
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.04
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole 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

8-[4-carbazol-9-yl-6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-6-pyrido[2,3-b]indol-9-yl-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-pyrido[2,3-b]indol-9-yl-6-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160623750
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132548
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177132563
9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168800187
2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787067
18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 177074516
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
5-[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-2-pyridinyl]-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 140874483
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-phenyl-2-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]pyrimido[4,5-b]indole
CID 155784528
3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,8-diphenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132574

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole (CID 177069984) is 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GQQIJWPUNCJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5Si/c1-3-19-39(20-4-1)63(40-21-5-2-6-22-40)53-34-18-13-29-47(53)41-23-7-8-24-42(41)48-37-38(35-36-54(48)63)55-58-56(61-49-30-14-9-25-43(49)44-26-10-15-31-50(44)61)60-57(59-55)62-51-32-16-11-27-45(51)46-28-12-17-33-52(46)62/h1-37H.
What are the key properties of 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 820.04 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177069984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).