N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine

C53H40N2Si — CID 59720567

IUPACN-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C53H40N2Si/c1-39-26-29-43(30-27-39)54(44-31-28-40-16-14-15-17-41(40)36-44)45-32-34-52-50(37-45)51-38-49(33-35-53(51)55(52)42-18-6-2-7-19-42)56(46-20-8-3-9-21-46,47-22-10-4-11-23-47)48-24-12-5-13-25-48/h2-38H,1H3
InChIKeyDYVQFHFNTMSZLY-UHFFFAOYSA-N
MW733.00 g/mol
LogP11.09
Rot. Bonds8

About N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine

N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720567) has the molecular formula C53H40N2Si and a molecular weight of 733.00 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
PubChem CID59720567
Molecular FormulaC53H40N2Si
Molecular Weight733.00 g/mol
Exact Mass732.30
IUPAC NameN-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C53H40N2Si/c1-39-26-29-43(30-27-39)54(44-31-28-40-16-14-15-17-41(40)36-44)45-32-34-52-50(37-45)51-38-49(33-35-53(51)55(52)42-18-6-2-7-19-42)56(46-20-8-3-9-21-46,47-22-10-4-11-23-47)48-24-12-5-13-25-48/h2-38H,1H3
InChIKeyDYVQFHFNTMSZLY-UHFFFAOYSA-N
XLogP11.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.00
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine (CID 59720567) is N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine is Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?
The InChIKey is DYVQFHFNTMSZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2Si/c1-39-26-29-43(30-27-39)54(44-31-28-40-16-14-15-17-41(40)36-44)45-32-34-52-50(37-45)51-38-49(33-35-53(51)55(52)42-18-6-2-7-19-42)56(46-20-8-3-9-21-46,47-22-10-4-11-23-47)48-24-12-5-13-25-48/h2-38H,1H3.
What are the key properties of N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?
N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine has a molecular weight of 733.00 g/mol, XLogP of 11.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).