[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane

C30H23NSi — CID 137330036

IUPAC[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane
SMILES[SiH3]c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C30H23NSi/c32-26-15-13-25(14-16-26)31-29-17-11-23(21-7-3-1-4-8-21)19-27(29)28-20-24(12-18-30(28)31)22-9-5-2-6-10-22/h1-20H,32H3
InChIKeyUMBQLBYZQFYWFJ-UHFFFAOYSA-N
MW425.61 g/mol
LogP6.11
Rot. Bonds3

About [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane

[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane (PubChem CID 137330036) has the molecular formula C30H23NSi and a molecular weight of 425.61 g/mol. Its IUPAC name is [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane.

Molecular Properties

Compound Name[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane
PubChem CID137330036
Molecular FormulaC30H23NSi
Molecular Weight425.61 g/mol
Exact Mass425.16
IUPAC Name[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane
SMILES[SiH3]c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C30H23NSi/c32-26-15-13-25(14-16-26)31-29-17-11-23(21-7-3-1-4-8-21)19-27(29)28-20-24(12-18-30(28)31)22-9-5-2-6-10-22/h1-20H,32H3
InChIKeyUMBQLBYZQFYWFJ-UHFFFAOYSA-N
XLogP6.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane?
The IUPAC name of [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane (CID 137330036) is [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane.
What is the SMILES notation for [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane?
The canonical SMILES for [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane is [SiH3]c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane?
The InChIKey is UMBQLBYZQFYWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NSi/c32-26-15-13-25(14-16-26)31-29-17-11-23(21-7-3-1-4-8-21)19-27(29)28-20-24(12-18-30(28)31)22-9-5-2-6-10-22/h1-20H,32H3.
What are the key properties of [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane?
[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane has a molecular weight of 425.61 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-diphenylcarbazol-9-yl)phenyl]silane is sourced from PubChem (CID 137330036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).