N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine

C65H47FN2OSi — CID 90306209

IUPACN-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESCC1(C)c2cccc3ccc4cc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)c5cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccc(F)cc5)cc1c4c23
InChIInChI=1S/C65H47FN2OSi/c1-65(2)59-25-15-16-44-26-27-45-40-50(42-60(65)64(45)63(44)59)67(47-32-35-52(36-33-47)69-51-17-7-3-8-18-51)49-34-38-61-57(41-49)58-43-56(37-39-62(58)68(61)48-30-28-46(66)29-31-48)70(53-19-9-4-10-20-53,54-21-11-5-12-22-54)55-23-13-6-14-24-55/h3-43H,1-2H3
InChIKeyXHHZSTHKMIHHEU-UHFFFAOYSA-N
MW919.19 g/mol
LogP14.51
Rot. Bonds10

About N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine

N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 90306209) has the molecular formula C65H47FN2OSi and a molecular weight of 919.19 g/mol. Its IUPAC name is N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound NameN-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
PubChem CID90306209
Molecular FormulaC65H47FN2OSi
Molecular Weight919.19 g/mol
Exact Mass918.34
IUPAC NameN-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESCC1(C)c2cccc3ccc4cc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)c5cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccc(F)cc5)cc1c4c23
InChIInChI=1S/C65H47FN2OSi/c1-65(2)59-25-15-16-44-26-27-45-40-50(42-60(65)64(45)63(44)59)67(47-32-35-52(36-33-47)69-51-17-7-3-8-18-51)49-34-38-61-57(41-49)58-43-56(37-39-62(58)68(61)48-30-28-46(66)29-31-48)70(53-19-9-4-10-20-53,54-21-11-5-12-22-54)55-23-13-6-14-24-55/h3-43H,1-2H3
InChIKeyXHHZSTHKMIHHEU-UHFFFAOYSA-N
XLogP14.51
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.19
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine (CID 90306209) is N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine is CC1(C)c2cccc3ccc4cc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)c5cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccc(F)cc5)cc1c4c23.
What is the InChIKey of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
The InChIKey is XHHZSTHKMIHHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47FN2OSi/c1-65(2)59-25-15-16-44-26-27-45-40-50(42-60(65)64(45)63(44)59)67(47-32-35-52(36-33-47)69-51-17-7-3-8-18-51)49-34-38-61-57(41-49)58-43-56(37-39-62(58)68(61)48-30-28-46(66)29-31-48)70(53-19-9-4-10-20-53,54-21-11-5-12-22-54)55-23-13-6-14-24-55/h3-43H,1-2H3.
What are the key properties of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 919.19 g/mol, XLogP of 14.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 90306209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).