3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole

C58H40N2Si — CID 156626520

IUPAC3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole
SMILESC[Si]1(C)c2ccccc2-c2cc3cc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4cc3cc21
InChIInChI=1S/C58H40N2Si/c1-61(2)57-20-12-10-18-48(57)52-35-43-29-38-21-25-46(31-42(38)30-44(43)36-58(52)61)60-53-19-11-9-17-47(53)49-33-40(23-27-54(49)60)41-24-28-56-51(34-41)50-32-39(37-13-5-3-6-14-37)22-26-55(50)59(56)45-15-7-4-8-16-45/h3-36H,1-2H3
InChIKeyQKDKRCHYVUTNIW-UHFFFAOYSA-N
MW793.06 g/mol
LogP14.32
Rot. Bonds4

About 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole

3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole (PubChem CID 156626520) has the molecular formula C58H40N2Si and a molecular weight of 793.06 g/mol. Its IUPAC name is 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole
PubChem CID156626520
Molecular FormulaC58H40N2Si
Molecular Weight793.06 g/mol
Exact Mass792.30
IUPAC Name3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole
SMILESC[Si]1(C)c2ccccc2-c2cc3cc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4cc3cc21
InChIInChI=1S/C58H40N2Si/c1-61(2)57-20-12-10-18-48(57)52-35-43-29-38-21-25-46(31-42(38)30-44(43)36-58(52)61)60-53-19-11-9-17-47(53)49-33-40(23-27-54(49)60)41-24-28-56-51(34-41)50-32-39(37-13-5-3-6-14-37)22-26-55(50)59(56)45-15-7-4-8-16-45/h3-36H,1-2H3
InChIKeyQKDKRCHYVUTNIW-UHFFFAOYSA-N
XLogP14.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.06
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
CID 123876607
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
CID 155784537
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]carbazole
CID 123454068
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole (CID 156626520) is 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole is C[Si]1(C)c2ccccc2-c2cc3cc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4cc3cc21.
What is the InChIKey of 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
The InChIKey is QKDKRCHYVUTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2Si/c1-61(2)57-20-12-10-18-48(57)52-35-43-29-38-21-25-46(31-42(38)30-44(43)36-58(52)61)60-53-19-11-9-17-47(53)49-33-40(23-27-54(49)60)41-24-28-56-51(34-41)50-32-39(37-13-5-3-6-14-37)22-26-55(50)59(56)45-15-7-4-8-16-45/h3-36H,1-2H3.
What are the key properties of 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole has a molecular weight of 793.06 g/mol, XLogP of 14.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 156626520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).